2002-02-22 10:29  thassine

	* src/target3/t3mm1docv.cpp: a small fix added to the library
	widget generation code.

2002-02-21 16:26  thassine

	* bin/user-docs/: index.html, using_cs_tools.html,
	using_cs_tools01.jpg, using_cs_tools02.jpg, using_cs_tools03.jpg,
	using_cs_tools04.jpg, using_cs_tools05.jpg: user's manual is
	enhanced; it now contains a section about 1D and 2D energy plots.

2002-02-20 12:34  thassine

	* INSTALL, src/common/mm1alg.h, src/common/mm1mdl.cpp,
	src/common/mm2alg.h, src/common/mm2mdl.cpp, src/common/qm1alg.h,
	src/common/qm1mdl.cpp, src/target1/Makefile.OLD,
	src/target2/Makefile.OLD, src/target2/t2mm1docv.cpp,
	src/target2/t2mm2docv.cpp, src/target2/t2qm1docv.cpp,
	src/target3/Makefile.OLD, src/target3/glade_callbacks.cpp,
	src/target3/glade_interface.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm2docv.cpp, src/target3/t3qm1docv.cpp: old makefiles
	updated, and the code added for geomopt dialogs + calculations that
	separates the different termination criteria and makes them
	optional. it also prints out which criteria was used to terminate
	the optimization.

2002-02-18 19:06  hutchisn

	* openbabel/pdb.cpp: Don't try to run PerceiveBondOrders yet...
	this seems to be very buggy.

2002-02-18 18:53  hutchisn

	* openbabel/: Makefile.in, alchemy.cpp, amber.cpp, aromatic.txt,
	atom.cpp, balst.cpp, box.cpp, c3d.cpp, cacao.cpp, car.cpp, ccc.cpp,
	commandline.h, ctransform.h, data.cpp, data.h, dmol.cpp, element.h,
	element.txt, extable.h, extable.txt, feat.cpp, gamess.cpp,
	gaussian.cpp, ghemical.cpp, grid.h, hin.cpp, jaguar.cpp, main.cpp,
	mol.cpp, mol.h, mopac.cpp, mpqc.cpp, nwchem.cpp, obutil.cpp,
	obutil.h, patty.cpp, pdb.cpp, phmodel.cpp, qchem.cpp, report.cpp,
	rotor.cpp, smarts.h, typer.cpp, unichem.cpp, version.h.in, xyz.cpp:
	Updated Open Babel code, including preliminary bond-order
	perception.

2002-01-31 15:50  thassine

	* miniMOPAC/README: some documentation fixes for miniMOPAC.

2002-01-31 14:25  thassine

	* src/target3/: glade_interface.cpp, glade/ghemical.glade,
	glade/src/glade_interface.cpp: the check boxes for different
	termination criteria were added to the geomopt GLADE dialog; their
	states are not yet checked however.

2002-01-25 18:09  hutchisn

	* small-utilities/: Makefile, README, symmetry.c: Add Symmetry
	program (from Sergei Pachkovsky, who gave OK to use in Ghemical)

2002-01-25 15:42  thassine

	* src/: common/Makefile.OLD, common/define.h, common/qm1mdl.cpp,
	graphics/Makefile.OLD, target1/Makefile.OLD, target2/Makefile.OLD,
	target3/Makefile.OLD: some comments added, and old makefiles are
	fixed/updated.

2002-01-25 06:39  hutchisn

	* src/target3/: glade_callbacks.cpp, t3mm1docv.cpp: Make sure we
	actually set the optimization limits after the dialog completes...

2002-01-25 06:35  hutchisn

	* openbabel/unichem.cpp: Fix unichem XYZ support (read should
	expect atomic numbers in Unichem files).

2002-01-22 17:27  thassine

	* src/target3/: glade_interface.h, glade_support.cpp: verified that
	/target3 and /target3/glade/src keep in sync...

2002-01-22 00:23  hutchisn

	* src/: common/mm1alg.h, common/mm1mdl.cpp, common/mm2alg.h,
	common/qm1alg.h, common/qm1mdl.cpp, target3/glade_interface.cpp,
	target3/t3mm1docv.cpp, target3/t3mm2docv.cpp,
	target3/t3qm1docv.cpp, target3/glade/ghemical.glade,
	target3/glade/src/glade_interface.cpp,
	target3/glade/src/glade_support.cpp: Add support for terminating
	geometry optimizations "early" based on delta E or small gradient.
	Currently does not have a UI for termination based on small step,
	and this is set to 1.0e-12 so this should never happen.

2002-01-21 13:45  thassine

	* src/common/: mm1mdl.cpp, qm1mdl.cpp: the geomopt output now
	displays accurate gradient vector lengths.

2002-01-21 09:44  thassine

	* INSTALL: removed .cvsignore from the oelib directory.

2002-01-18 21:59  hutchisn

	* src/common/: mm1mdl.cpp, qm1mdl.cpp: Added user-friendly display
	of the step-size, displacement and delta E in geom opt.  Seems to
	indicate that most geom opt can quit early with tests for displ.
	and/or delta E.

2002-01-15 11:12  thassine

	* src/graphics/mm1docv.cpp: in the 1D and 2D energy plotting tools
	of mm1_docv it is now possible to select a smaller range of angles
	if needed, and the final energy can be calculated also using QM
	methods (so now it's possible to compare MM results against QM
	results as well as compare different QM results).

2002-01-14 21:10  thassine

	* src/: common/Makefile.OLD, graphics/Makefile.OLD,
	target1/Makefile.OLD, target2/Makefile.OLD, target3/Makefile.OLD:
	converted the old makefiles to use the new openbabel-paths.

2002-01-14 20:12  hutchisn

	* src/common/filetrans.cpp: Delete filename at appropriate
	time--Babel uses it for a Title when exporting.

2002-01-14 05:57  hutchisn

	* configure, configure.in: Add almost-forgotten configure tests
	contributed by Michael Banck--check for f2c if g2c is not found
	(and give an error if neither is found).

2002-01-11 17:20  hutchisn

	* src/: common/Makefile.in, graphics/Makefile.in,
	target3/Makefile.in: Makefile fixes.

2002-01-11 01:04  hutchisn

	* configure, configure.in, src/common/Makefile.in,
	src/target3/Makefile.in: Added support for Michael Banck's SC
	autoconf macros to simplify building MPQC.

2002-01-11 00:45  hutchisn

	* Makefile.in, PROJECT, config.guess, config.sub, configure,
	configure.in, openbabel/Makefile.in, openbabel/StdAfx.cpp,
	openbabel/StdAfx.h, openbabel/Vector.cpp, openbabel/Vector.h,
	openbabel/alchemy.cpp, openbabel/amber.cpp, openbabel/aromatic.h,
	openbabel/aromatic.txt, openbabel/atom.cpp, openbabel/atomtyp.h,
	openbabel/atomtyp.txt, openbabel/balst.cpp, openbabel/base.cpp,
	openbabel/base.h, openbabel/bgf.cpp, openbabel/bin2hex.pl,
	openbabel/binary.cpp, openbabel/binary.h, openbabel/binary_io.cpp,
	openbabel/binary_io.h, openbabel/bitgrid.cpp, openbabel/bitgrid.h,
	openbabel/bitvec.cpp, openbabel/bitvec.h, openbabel/bond.cpp,
	openbabel/box.cpp, openbabel/c3d.cpp, openbabel/cacao.cpp,
	openbabel/cache.cpp, openbabel/car.cpp, openbabel/ccc.cpp,
	openbabel/chains.cpp, openbabel/chains.h, openbabel/chdrw.cpp,
	openbabel/chiral.cpp, openbabel/chiral.h,
	openbabel/commandline.cpp, openbabel/commandline.h,
	openbabel/csr.cpp, openbabel/cssr.cpp, openbabel/ctransform.cpp,
	openbabel/ctransform.h, openbabel/cwrap.cpp, openbabel/cwrap.h,
	openbabel/data.cpp, openbabel/data.h, openbabel/dmol.cpp,
	openbabel/element.h, openbabel/element.txt, openbabel/extable.h,
	openbabel/extable.txt, openbabel/feat.cpp, openbabel/fh.cpp,
	openbabel/fileformat.cpp, openbabel/fileformat.h,
	openbabel/gamess.cpp, openbabel/gaussian.cpp,
	openbabel/generic.cpp, openbabel/generic.h, openbabel/ghemical.cpp,
	openbabel/grid.cpp, openbabel/grid.h, openbabel/gromos96.cpp,
	openbabel/hin.cpp, openbabel/jaguar.cpp, openbabel/main.cpp,
	openbabel/matrix.cpp, openbabel/matrix.h, openbabel/mdl.cpp,
	openbabel/mmod.cpp, openbabel/mol.cpp, openbabel/mol.h,
	openbabel/mol2.cpp, openbabel/molchrg.cpp, openbabel/molchrg.h,
	openbabel/molvector.cpp, openbabel/molvector.h,
	openbabel/mopac.cpp, openbabel/mpqc.cpp, openbabel/nwchem.cpp,
	openbabel/obifstream.h, openbabel/oblib.dsp, openbabel/oblib.dsw,
	openbabel/obutil.cpp, openbabel/obutil.h, openbabel/parsmart.cpp,
	openbabel/parsmart.h, openbabel/parsmi.cpp, openbabel/patty.cpp,
	openbabel/patty.h, openbabel/pdb.cpp, openbabel/phmodel.cpp,
	openbabel/phmodel.h, openbabel/phmodel.txt,
	openbabel/phmodeldata.h, openbabel/qchem.cpp, openbabel/quat.c,
	openbabel/rand.cpp, openbabel/report.cpp, openbabel/resdata.h,
	openbabel/resdata.txt, openbabel/ring.cpp, openbabel/ring.h,
	openbabel/rotor.cpp, openbabel/rotor.h, openbabel/smarts.cpp,
	openbabel/smarts.h, openbabel/smi.cpp, openbabel/smi.h,
	openbabel/tinker.cpp, openbabel/tokenst.cpp, openbabel/typer.cpp,
	openbabel/typer.h, openbabel/types.h, openbabel/types.txt,
	openbabel/unichem.cpp, openbabel/version.h, openbabel/xed.cpp,
	openbabel/xyz.cpp, src/common/Makefile.in,
	src/common/filetrans.cpp, src/common/filetrans.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/notice.cpp,
	src/common/utility.cpp, src/graphics/Makefile.in,
	src/graphics/docview.cpp, src/target3/Makefile.in: Updated with
	OpenBabel replacing OELib.

2002-01-10 20:28  hutchisn

	* src/graphics/: mtools.h, views.cpp, views.h: Add data types for
	select modes and measure modes.

2002-01-07 15:51  thassine

	* src/common/: mm1mdl.cpp, mm1mdl.h, mm2mdl.cpp, mm2mdl.h,
	qm1mdl.cpp, qm1mdl.h: some cleanups for the model classes, plus
	some documentation updates.

2002-01-06 01:00  hutchisn

	* aclocal.m4: Added Michael Banck's contributed SC tests. These
	have not yet been implemented into configure.in yet.

2002-01-02 16:40  thassine

	* INSTALL, src/common/Makefile.OLD, src/graphics/Makefile.OLD,
	src/target1/Makefile.OLD, src/target2/Makefile.OLD,
	src/target3/Makefile.OLD: converted the old makefiles to use the
	Scientific Computation toolkit (SC toolkit) of MPQC, instead of the
	MPQC object files and headers directly.

2001-12-31 15:19  thassine

	* src/: common/interface.cpp, common/interface.h,
	common/mm1mdl.cpp, common/mm1mdl.h, common/qm1mdl.cpp,
	common/qm1mdl.h, target3/t3mm1docv.cpp, target3/t3qm1docv.cpp: the
	all_atoms_interface is now implemented. it works as a bridge
	between MM and QM models, and offers a stadard set of functions to
	access atoms and bonds in them. the convert-to-MM/QM feature is now
	implemented using all_atoms_interface, and also the OELib/OpenBabel
	complatibility methods might fit into it.

2001-12-29 16:56  thassine

	* src/: graphics/camera.cpp, graphics/camera.h,
	graphics/docview.cpp, graphics/objects.cpp, graphics/objects.h,
	graphics/views.h, target3/t3mm1docv.cpp, target3/t3qm1docv.cpp,
	target3/t3views.cpp: the convert-project-to-QM/MM and
	attach/detach-this-view operations now retain the graphics
	settings.

2001-12-29 13:51  thassine

	* src/graphics/views.cpp: the GLUT stroke fonts now make readable
	text in all cases, but 3D text (as in labels) is still misaligned.

2001-12-28 15:43  thassine

	* src/graphics/: camera.cpp, mm1docv.cpp, mm2docv.cpp, qm1docv.cpp,
	views.cpp, views.h: tried to simplify the text rendering functions;
	also an initial support for line-based font rendering (using
	glutStrokeBitmap()) but it's still quite broken.

2001-12-20 13:11  thassine

	* src/graphics/: mm1docv.cpp, views.cpp, views.h: the plots are now
	checked and commented; should work but UI is still console-based.

2001-12-19 16:47  thassine

	* src/graphics/: mm1docv.cpp, mtools.cpp, views.cpp, views.h: now
	it's possible to scale colors of plot2d_view (using zoom
	mousetool), and the plot views now store and display the strcutures
	(using select/orbit/rotate tools); still need to do some testing
	for the plots but they look good for symmterical molecules.

2001-12-19 13:45  thassine

	* src/graphics/: docview.cpp, docview.h, mtools.cpp, qm1docv.cpp,
	qm1docv.h, views.cpp, views.h: moved the enlevdiag_view class to
	the newly created plotting_view class family; now there is a
	consistent way to handle non-graphics (energy-level diagram,
	plot1d, plot2d) views.

2001-12-18 17:20  thassine

	* src/common/: mm1eng1.cpp, mm1eng9.cpp: just docs clarified a
	bit...

2001-12-18 14:43  thassine

	* src/: common/mm1eng1.cpp, common/mm1eng9.cpp, common/mm1mdl.cpp,
	graphics/mm1docv.cpp: a better tor-constraints added to mm1_eng
	classes for the 1d and 2d plots.

2001-12-18 09:53  thassine

	* INSTALL: updated the installation docs.

2001-12-17 17:17  thassine

	* src/: common/intcrd.cpp, common/intcrd.h, common/mm1mdl.cpp,
	common/mm1mdl.h, graphics/docview.h, graphics/mm1docv.cpp,
	graphics/mm1docv.h, graphics/views.cpp, graphics/views.h,
	target2/t2mm1docv.cpp, target2/t2views.cpp, target2/t2views.h,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h, target3/t3views.cpp,
	target3/t3views.h: added 1D and 2D energy vs. torsion
	angles-plotting feature; it compiles and even more or less works,
	but it still needs a lot of finishing.

2001-12-12 14:35  thassine

	* bin/user-docs/index.html, src/graphics/docview.cpp,
	src/graphics/docview.h, src/graphics/views.cpp,
	src/graphics/views.h, src/target2/t2qm1docv.cpp,
	src/target2/t2views.cpp, src/target2/t2views.h,
	src/target3/t3docv.cpp, src/target3/t3docv.h,
	src/target3/t3mm1docv.cpp, src/target3/t3mm2docv.cpp,
	src/target3/t3qm1docv.cpp, src/target3/t3views.cpp,
	src/target3/t3views.h: added attach/detach feature for
	gnome_graphics_views. earlier it was somewhat difficult to use
	multiple views, because only one at a time could be looked at the
	GtkNotebook. now the views can be detached from the notebook to
	separate windows, and attached back to notebook as well. also some
	GLUT and plotting improvements are added.

2001-12-10 15:27  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/model.cpp,
	common/model.h, common/qm1alg.cpp, common/qm1alg.h,
	common/qm1e_mopac.cpp, common/qm1eng.h, common/qm1mdl.cpp,
	common/qm1mdl.h, target2/t2mm1docv.cpp, target2/t2qm1docv.cpp: a
	simple transition state search tool added for qm1_mdl; at the
	moment it's badly documented and only works in the GLUT user
	interface (target2).

2001-12-07 15:56  thassine

	* src/: common/model.h, common/qm1mdl.cpp, graphics/qm1docv.cpp,
	target2/t2mm1docv.cpp, target2/t2mm2docv.cpp,
	target2/t2qm1docv.cpp: some t2 cleanups added, and improved qm1_mdl
	support for multiple crd-sets.

2001-12-05 18:11  thassine

	* src/common/: mm1eng.h, mm1eng1.cpp, mm1eng1.h, mm1eng9.cpp,
	mm1eng9.h: added an initial framework for adding torsional
	constraints in molecular mechanics force fields; the old stuff
	should work as usual.

2001-12-05 16:53  thassine

	* src/: common/errutil.cpp, common/notice.h, common/typedef.h,
	graphics/mm2rbn.cpp: added some Alpha platform fixes from Bob
	Williams.

2001-11-27 07:35  hutchisn

	* Makefile.in: Added distclean target and changed help destination
	to smooth with Debian package.

2001-11-27 07:32  hutchisn

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h, t3prefs.cpp: Added
	Selection Mode submenu (w/radio items) and fixed library error
	message.

2001-11-27 01:31  hutchisn

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h: Updated library feature
	to be fully user-configurable (# levels, directory path) Now also
	add submenus for subdirectories!

2001-11-26 11:05  thassine

	* src/target3/: t3mm1docv.cpp, t3views.h: minor fixes for
	'Library', and some cleanups.

2001-11-21 07:28  hutchisn

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h, t3views.h: Add "library
	submenu" as a first draft--still needs to be user-configurable
	(recursive function to establish the menu) and still buggy.

2001-11-13 14:27  thassine

	* INSTALL, src/common/mm1mdl.h, src/common/mm2mdl.h,
	src/common/qm1mdl.h, src/common/qm2mdl.h, src/graphics/docview.h,
	src/graphics/mm1docv.cpp, src/graphics/mm1docv.h,
	src/graphics/mm2docv.cpp, src/graphics/mm2docv.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/target3/t3main.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3qm1docv.cpp, src/target3/t3views.cpp: made the
	SelectNone feature as a combination of SelectAll and
	InvertSelection (less code this way), and added some enhancements
	to FileOpen (graphics update forced, and possibly selected new
	atoms now replace the old selection).

2001-11-12 18:20  hutchisn

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/mm2mdl.cpp,
	common/mm2mdl.h, common/model.h, common/qm1mdl.h,
	graphics/docview.h, graphics/mm1docv.cpp, graphics/mm1docv.h,
	graphics/mm2docv.cpp, graphics/mm2docv.h, graphics/qm1docv.cpp,
	graphics/qm1docv.h, target3/t3mm1docv.cpp, target3/t3mm1docv.h,
	target3/t3qm1docv.cpp, target3/t3views.cpp, target3/t3views.h:
	Added SelectNone() and support for "inserting" files (open with
	molecules selected).

2001-11-09 20:32  hutchisn

	* src/common/filetrans.cpp: Fix bug with OELib making Kekule
	structures. OELib now no longer clears flags for perceived Aromatic
	bonds and atoms. Our code makes bonds conjugated if OE has marked
	the bond as aromatic.

2001-11-08 12:19  thassine

	* configure, configure.in, src/common/define.h: back to devel
	settings, version number changed to 0.82.

2001-11-08 09:51  thassine

	* CHANGES, src/common/define.h: some final changes for the new
	release; this is released as 0.81.

2001-11-07 11:43  thassine

	* CHANGES, INSTALL, bin/user-docs/index.html: some documentation
	updates added.

2001-10-29 17:48  thassine

	* src/: common/define.h, common/mm2mdl.cpp, common/mm2mdl.h,
	common/qm1mdl.cpp, common/qm1mdl.h, graphics/mm1docv.cpp,
	target2/t2mm1docv.cpp, target2/t2mm2docv.cpp, target3/t3docv.h,
	target3/t3main.cpp, target3/t3main.h, target3/t3mm1docv.cpp,
	target3/t3mm1docv.h, target3/t3mm2docv.cpp, target3/t3mm2docv.h,
	target3/t3qm1docv.cpp: some generic improvements added: some t3
	file operations added and mm1_mdl labels feature improved.

2001-10-23 16:10  thassine

	* src/: common/mm1eng.cpp, common/mm1eng.h, common/mm1eng1.cpp,
	common/mm1eng1.h, common/mm1eng9.cpp, common/mm1eng9.h,
	common/mm1mdl.cpp, common/mm1tab1.cpp, common/mm1tab1.h,
	common/mm1tab9.cpp, common/mm1tab9.h, common/mm1util.cpp,
	common/mm2eng.cpp, common/mm2eng.h, common/mm2mdl.cpp,
	common/model.cpp, graphics/mm2docv.cpp, graphics/plane.cpp,
	graphics/surface.cpp, target1/t1m_mm2param_cpp.h,
	target1/t1main.cpp, target3/t3mm1docv.cpp, target3/t3mm1docv.h: did
	some cleanups for eng-classes (removed some old unnecessary parts);
	nothing should have changed in how the classes actually work. also
	tried to improve code readability generally. in summary: everything
	should still work as it used to...

2001-10-18 18:01  thassine

	* src/common/: mm1eng.cpp, mm1eng.h, mm1eng1.cpp, mm1eng1.h,
	mm1eng9.cpp, mm1eng9.h: a new energy term for out of plane bending
	must be added soon to forcefield; added an empty framework for the
	new term.

2001-10-08 17:39  thassine

	* bin/parameters/mm1param/stable/atomtypes.txt,
	bin/parameters/mm1param/stable/parameters1.txt,
	bin/parameters/mm1param/stable/parameters2.txt,
	bin/parameters/mm1param/stable/parameters3.txt,
	bin/parameters/mm1param/stable/parameters4.txt,
	bin/parameters/mm1param/stable/parameters5.txt,
	bin/parameters/mm1param/unstable/atomtypes.txt,
	bin/parameters/mm1param/unstable/parameters1.txt,
	bin/parameters/mm1param/unstable/parameters2.txt,
	bin/parameters/mm1param/unstable/parameters3.txt,
	bin/parameters/mm1param/unstable/parameters4.txt,
	bin/parameters/mm1param/unstable/parameters5.txt,
	src/common/mm1eng1.h, src/common/mm1eng9.h, src/common/mm1mdl.cpp,
	src/common/mm1tab1.cpp, src/common/mm1tab1.h,
	src/common/mm1tab9.cpp, src/common/mm1tab9.h: made some
	rearrangements at mm1_eng classes that make expermimentation with
	the classes easier; also the parameter files have been changed so
	you should do the #make install# for this version.

2001-10-03 13:56  thassine

	* CHANGES, PROJECT: changed the old manually maintained
	changes-file to a newer log that is maintained using a cvs2cl.pl
	utility; it makes a logfile using cvs log information; see
	http://www.red-bean.com/cvs2cl/

2001-10-03 13:47  thassine

	* src/: common/mm2mdl.h, common/qm2mdl.h, target3/t3main.cpp,
	target3/t3prefs.cpp: a temporary modification done for colour prefs
	at t3prefs.cpp where the default values are just quickly returned
	(a quick fix to improve graphics performance of 0.80 compared to
	0.42).

2001-10-01 06:50  hutchisn

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/mm2mdl.h,
	common/model.h, common/qm1mdl.h, target3/glade_callbacks.cpp,
	target3/t3main.cpp: Moved import code into mm1model so it can be
	called from other parts of the code.  Added support for
	command-line flags, e.g. -f opens a ghemical file, -i imports a
	file.  And any remaining arguments are assumed to be filenames to
	import.    (Keep in mind that we can import a .mm1gp or .qm1gp
	anyway.)
	
	Allows $PATH/ghemical to be used as a web helper application.

2001-09-27 15:57  thassine

	* src/common/define.h: changed the main web address to
	www.bioinformatics.org

2001-09-27 15:14  thassine

	* CHANGES, miniMOPAC/README, miniMOPAC/iter.c,
	miniMOPAC/fortran/iter.f: mopac iter.f changed so that the program
	is not closed even if SCF convergence problems; the mopac geometry
	optimization is now much more resistant to crashes.

2001-09-26 17:35  thassine

	* CHANGES, INSTALL, miniMOPAC/README, miniMOPAC/esp.c,
	miniMOPAC/iter.c, miniMOPAC/minimopac.c, miniMOPAC/fortran/esp.f,
	miniMOPAC/fortran/iter.f, miniMOPAC/fortran/minimopac.f,
	miniMOPAC/fortran/mopac.f, src/common/qm1e_mopac.cpp: some MOPAC
	fortran code cleanups; unnecessary file operations removed, and
	output is now directed to console. now works also with redhat
	7.1???

2001-09-24 17:21  thassine

	* src/graphics/: docview.cpp, docview.h, mm1docv.cpp, qm1docv.cpp:
	added to measure tool a set if model-independent measurement
	functions in an effort to make it simpler.

2001-09-24 16:10  thassine

	* BUGLIST, src/target2/t2qm1docv.cpp,
	src/target3/glade_callbacks.cpp, src/target3/glade_interface.cpp,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h: a new known bug
	was added; qm1 geomopt dialog was added for gnome version.

2001-09-15 00:17  hutchisn

	* Makefile.in, bin/ghemical.png, src/common/Makefile.in,
	src/graphics/Makefile.in, src/target3/Makefile.in: Add distclean
	targets to Makefiles

2001-09-14 16:08  thassine

	* src/graphics/views.cpp: the energy level diagram now tries to
	detect degenerate energy levels (like in N2 or F2) and draw them
	side by side rather than overlapped.

2001-09-14 13:44  thassine

	* src/graphics/: docview.cpp, mm1docv.cpp: completed the fixes for
	known mem leaks at docview.cpp

2001-09-08 02:20  hutchisn

	* src/: common/filetrans.cpp, graphics/docview.cpp,
	graphics/mm1docv.cpp, graphics/views.cpp, target3/t3prefs.cpp: Fix
	a few memory leaks and bugs.

2001-09-07 16:22  thassine

	* CHANGES, configure, configure.in, src/common/define.h:
	development starts again, promoted version number to 0.81

2001-09-06 10:21  thassine

	* CHANGES, INSTALL, bin/user-docs/index.html,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h,
	src/target2/t2mm1docv.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h: did a last-minute addition of random
	conformational search; this is released as version 0.80

2001-09-05 16:37  thassine

	* CHANGES, INSTALL, bin/user-docs/index.html: final fixes to
	documentation etc...

2001-09-04 12:38  thassine

	* src/common/: mm1eng1.cpp, mm1eng9.cpp, mm1mdl.h, mm1tab1.cpp,
	mm1tab9.cpp: some cleanups at MM eng/tab classes.

2001-09-04 11:07  thassine

	* src/common/: mm1eng.h, mm1tab1.cpp, mm1tab9.cpp: minor changes
	and cleanups.

2001-09-03 13:01  thassine

	* src/common/: mm1tab1.cpp, mm1tab9.cpp, mm1util.cpp, mm1util.h: a
	minor cleanup for mm1_typerule.

2001-09-03 10:06  thassine

	* miniMOPAC/README, src/common/mm1mdl.h: minor additions to mm1_mdl
	and MOPAC docs.

2001-08-30 07:22  hutchisn

	* src/common/filetrans.cpp: Update with new OELib code -- a few new
	filetypes, cleanups and better bonding for QM files.

2001-08-29 16:21  thassine

	* AUTHORS, src/graphics/camera.cpp, src/graphics/camera.h,
	src/target3/t3main.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm2docv.cpp, src/target3/t3qm1docv.cpp,
	src/target3/t3views.cpp, src/target3/t3views.h: added an
	alternative way for camera setup in stereo viewing modes; copyright
	notices etc updated.

2001-08-29 13:18  thassine

	* src/target3/: t3mm1docv.cpp, t3views.cpp, t3views.h: added Mike's
	stereo code (under target3).

2001-08-29 13:18  thassine

	* src/graphics/: camera.cpp, camera.h: added Mike's stereo code
	(under graphics).

2001-08-29 10:08  thassine

	* configure, configure.in, src/common/define.h,
	src/common/qm1e_mopac.cpp, src/common/qm1e_mopac.h,
	src/common/qm1mdl.cpp: a safer mopac locking mechanism added,
	version number promoted to 0.80.

2001-08-28 10:04  thassine

	* INSTALL, miniMOPAC/README, miniMOPAC/minimopac.c,
	miniMOPAC/fortran/minimopac.f, src/common/qm1e_mopac.cpp: mopac
	engine now survives from change of molecule (the fortran variables
	NUMCAL and ISOK were handled wrong), and some docs updated.

2001-08-27 15:35  thassine

	* bin/user-docs/: enlevdiag.jpg, index.html, maintools.jpg: user's
	manual quickly updated.

2001-08-27 12:26  thassine

	* src/common/qm1e_mopac.cpp: added comments about a specifig bug in
	mopac.

2001-08-27 11:13  thassine

	* src/common/: mm1mdl.cpp, mm1mdl.h, mm2mdl.cpp, qm1e_mopac.cpp,
	qm1e_mopac.h, qm1e_mpqc.cpp, qm1e_mpqc.h, qm1mdl.cpp, qm1mdl.h:
	hamiltonian/basis set selection added for QM engs.

2001-08-26 12:45  thassine

	* src/common/: mm1alg.cpp, mm2alg.cpp, qm1alg.cpp, qm1e_mopac.cpp,
	qm1mdl.cpp: minor bugs fixed in mm1/qm1_geomopt::GetValue() where
	it calculated gradient when only energy was needed. also
	qm1_eng_mopac and qm1_geomopt settings are optimized for
	speed/stability (now simple molecules with good starting geometries
	are quite safe).

2001-08-25 17:48  thassine

	* src/: common/qm1e_mopac.cpp, common/qm1e_mpqc.cpp,
	common/qm1mdl.cpp, common/qm1mdl.h, target3/glade_callbacks.cpp,
	target3/glade_interface.cpp, target3/glade/ghemical.glade,
	target3/glade/src/glade_interface.cpp: now the total charge can be
	specified in QM models; also checking added for QM setup.

2001-08-25 14:50  thassine

	* src/common/qm1e_mpqc.cpp: energy level diagram now works for ab
	initio as well.

2001-08-24 16:12  thassine

	* src/common/: qm1e_mopac.cpp, qm1e_mpqc.cpp, qm1e_mpqc.h: force
	calculations + algorithms added for MPQC.

2001-08-24 11:34  thassine

	* src/common/: qm1e_mopac.cpp, qm1mdl.cpp: fixed a gradient scaling
	bug in MOPAC engine; the geometry optimization is much more robust
	now.

2001-08-23 21:06  hutchisn

	* src/: graphics/mm1docv.cpp, graphics/mm2docv.cpp,
	graphics/qm1docv.cpp, graphics/views.cpp, target3/t3mm1docv.cpp,
	target3/t3mm2docv.cpp, target3/t3qm1docv.cpp: Migrate general
	"Graphics" prefs section to MM1Graphics, etc.

2001-08-23 15:38  thassine

	* src/: common/engine.h, common/mm1eng.cpp, common/mm1eng.h,
	common/mm2eng.cpp, common/mm2eng.h, common/qm1e_mopac.cpp,
	common/qm1e_mopac.h, common/qm1e_mpqc.cpp, common/qm1e_mpqc.h,
	common/qm1eng.cpp, common/qm1eng.h, common/qm1mdl.cpp,
	graphics/views.cpp, target2/t2mm1docv.cpp, target2/t2qm1docv.cpp:
	many smaller cleanups/fixes...

2001-08-23 01:21  hutchisn

	* src/graphics/: mm1docv.cpp, qm1docv.cpp: add QM measure
	functionality

2001-08-23 01:20  hutchisn

	* src/common/: mm1mdl.cpp, mm2mdl.cpp, qm1mdl.cpp: Use sprintf to
	give a standardized output to the geometry opt. output.

2001-08-22 19:31  hutchisn

	* src/: common/qm1mdl.cpp, target3/t3qm1docv.cpp: Use the same
	methods for ImportMM command as "convert" routines--and make sure
	we update the title!

2001-08-22 16:27  thassine

	* src/: common/mm1mdl.h, common/qm1mdl.cpp, common/qm1mdl.h,
	graphics/docview.cpp, graphics/docview.h, graphics/mm1docv.cpp,
	graphics/qm1docv.cpp, target3/t3docv.cpp, target3/t3mm1docv.cpp,
	target3/t3qm1docv.cpp: various smaller changes...

2001-08-22 14:18  thassine

	* CHANGES, src/common/qm1e_mopac.cpp, src/common/qm1e_mopac.h,
	src/common/qm1e_mpqc.cpp, src/common/qm1e_mpqc.h,
	src/common/qm1eng.h, src/common/qm1mdl.cpp, src/common/qm1mdl.h,
	src/graphics/mtools.cpp, src/graphics/mtools.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/target2/t2qm1docv.cpp, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target3/t3qm1docv.cpp,
	src/target3/t3qm1docv.h, src/target3/t3views.cpp,
	src/target3/t3views.h: an initial version of energy-level diagrams
	for QM models added (now works for mopac only).

2001-08-21 18:07  hutchisn

	* src/: graphics/mm2docv.cpp, target3/t3qm1docv.cpp: Add more
	config use in QM and MM2 modes.

2001-08-21 18:07  hutchisn

	* src/target3/t3mm1docv.cpp: Add minimal MM -> QM conversion code.
	Doesn't quite set the filename correctly but otherwise pretty much
	correct.

2001-08-20 14:03  thassine

	* CHANGES, miniMOPAC/esp.c, miniMOPAC/fortran/esp.f,
	src/common/qm1e_mopac.cpp, src/common/qm1e_mpqc.cpp,
	src/graphics/qm1docv.cpp, src/target2/t2qm1docv.cpp,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h: the rest of
	qm1_eng_mopac plots added, and a scaling bug in MO plots fixed.

2001-08-18 12:45  thassine

	* CHANGES, miniMOPAC/README, miniMOPAC/minimopac.c,
	miniMOPAC/fortran/minimopac.f, src/common/qm1e_mopac.cpp: some
	cleanups done in qm1_eng_mopac (the fortran and C code are now
	better separated, easier to maintain).

2001-08-18 10:01  thassine

	* miniMOPAC/fortran/SIZES: ooops, forgot to add the SIZES file.

2001-08-17 20:17  thassine

	* miniMOPAC/fortran/: esp.f, minimopac.f: added all changes to
	mopac fortran source before 2001-08-17.

2001-08-17 20:12  thassine

	* miniMOPAC/fortran/: aababc.f, addfck.f, addhcr.f, addnuc.f,
	analyt.f, anavib.f, axis.f, block.f, bonds.f, brlzon.f, btoc.f,
	calpar.f, capcor.f, cdiag.f, chrge.f, cnvg.f, compfg.f, consts.f,
	cqden.f, datin.f, dcart.f, delmol.f, delri.f, denrot.f, densit.f,
	depvar.f, deri0.f, deri1.f, deri2.f, deri21.f, deri22.f, deri23.f,
	deritr.f, deriv.f, dernvo.f, ders.f, dfock2.f, dfpsav.f, dgemm.f,
	dgemv.f, dger.f, dgetf2.f, dgetrf.f, dgetri.f, diag.f, diat.f,
	diat2.f, diegrd.f, dielen.f, diis.f, dijkl1.f, dijkl2.f, dipind.f,
	dipole.f, dlaswp.f, dofs.f, dot.f, drc.f, drcout.f, dtrmm.f,
	dtrmv.f, dtrsm.f, dtrti2.f, dtrtri.f, dvfill.f, ef.f, enpart.f,
	esp.f, etime.c, exchng.f, fdate.c, ffhpol.f, flepo.f, fmat.f,
	fock1.f, fock2.f, force.f, formxy.f, forsav.f, frame.f, freqcy.f,
	geout.f, geoutg.f, getgeg.f, getgeo.f, getsym.f, gettxt.f,
	gmetry.f, gover.f, greenf.f, grid.f, h1elec.f, haddon.f, hcore.f,
	helect.f, hqrii.f, ijkl.f, ilaenv.f, initsv.f, interp.f, iter.f,
	jcarin.f, linmin.f, local.f, locmin.f, lsame.f, makpol.f, mamult.f,
	matou1.f, matout.f, matpak.f, meci.f, mecid.f, mecih.f, mecip.f,
	moldat.f, molval.f, mopac.f, mullik.f, mult.f, nllsq.f, nuchar.f,
	parsav.f, partxy.f, pathk.f, paths.f, perm.f, polar.f, powsav.f,
	powsq.f, prtdrc.f, quadr.f, react1.f, reada.f, readmo.f, refer.f,
	repp.f, rotat.f, rotate.f, rsp.f, search.f, second.f, setupg.f,
	solrot.f, swap.f, sympro.f, symtry.f, symtrz.f, thermo.f, timer.f,
	timout.f, update.f, upsurf.f, vecprt.f, writmo.f, wrtkey.f,
	wrttxt.f, xerbla.f, xyzint.f: added the original mopac-7.01-4
	fortran source, since it seems to be impossible to maintain this
	stuff from f2c'd source.

2001-08-17 16:44  thassine

	* miniMOPAC/esp.c, src/common/qm1e_mopac.cpp: miniMOPAC tweaks; ESP
	plot drawing is now faster, plus MO plotting added.

2001-08-16 13:40  thassine

	* CHANGES, miniMOPAC/README: added some documentation about the
	mopac ESP plots.

2001-08-15 16:04  thassine

	* miniMOPAC/esp.c, src/common/qm1e_mopac.cpp: ESP plotting added to
	MOPAC-engine (1st working version).

2001-08-13 16:14  thassine

	* src/: common/Makefile.OLD, common/Makefile.in,
	common/interface.cpp, common/interface.h, common/mm1mdl.cpp,
	common/mm1mdl.h, common/mm2mdl.cpp, common/mm2mdl.h,
	target2/t2mm2docv.cpp, target3/glade_callbacks.cpp,
	target3/t3mm1docv.cpp, target3/t3mm2docv.cpp, target3/t3mm2docv.h:
	trajectory viewer for mm2_mdl added (and fixed the timestep of MD).

2001-08-09 11:30  thassine

	* CHANGES, src/target3/t3mm2docv.cpp, src/target3/t3mm2docv.h: the
	plotting stuff for mm2_mdl is now also added.

2001-08-08 16:29  thassine

	* CHANGES, src/common/mm2mdl.cpp, src/target2/t2mm1docv.cpp,
	src/target2/t2mm1docv.h, src/target2/t2mm2docv.cpp,
	src/target2/t2mm2docv.h, src/target3/glade_callbacks.cpp,
	src/target3/glade_interface.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h, src/target3/t3mm2docv.cpp,
	src/target3/t3mm2docv.h: algorithms for mm2_mdl are added.

2001-08-08 13:36  thassine

	* src/target3/: glade_callbacks.cpp, glade_interface.cpp,
	t3docv.cpp, t3docv.h, t3mm1docv.cpp, t3mm1docv.h, t3qm1docv.cpp,
	t3qm1docv.h: glade_modal_dialog_owner moved into glade_docv class,
	in order to make the dialogs work with multiple mdl-classes.

2001-08-04 00:04  hutchisn

	* src/graphics/: docview.cpp, docview.h, mm1docv.cpp, mm2docv.cpp,
	mm2docv.h, qm1docv.cpp, qm1docv.h, qm2docv.cpp, qm2docv.h: Moved
	InitGL() to parent DocumentView class--allows all classes to
	inherit config code easily.

2001-08-03 16:09  thassine

	* src/target3/: glade_callbacks.cpp, glade_callbacks.h,
	glade_interface.cpp, glade_interface.h, t3mm1docv.cpp,
	glade/README, glade/ghemical.glade, glade/src/Makefile,
	glade/src/glade_callbacks.cpp, glade/src/glade_callbacks.h,
	glade/src/glade_interface.cpp, glade/src/glade_interface.h,
	glade/src/glade_support.cpp, glade/src/main.cpp: rebuilt the glade
	code; some docs added for the glade stuff.

2001-08-02 14:36  thassine

	* src/: common/qm1e_mpqc.cpp, target2/t2mm1docv.cpp,
	target2/t2mm2docv.cpp, target2/t2qm1docv.cpp,
	target3/t3mm1docv.cpp, target3/t3qm1docv.cpp, target3/t3qm1docv.h:
	ESP plotting added to qm1_eng_mpqc.

2001-08-01 16:46  thassine

	* CHANGES, src/common/mm1mdl.cpp, src/common/mm1mdl.h,
	src/common/mm2alg.h, src/common/mm2mdl.cpp, src/common/mm2mdl.h,
	src/common/qm1e_mpqc.cpp, src/common/qm1eng.cpp,
	src/common/qm1eng.h, src/target2/t2mm1docv.cpp,
	src/target2/t2mm2docv.cpp, src/target2/t2qm1docv.cpp: small
	improvements for mm2_mdl and qm1_eng_mpqc but nothing ready yet.

2001-07-30 15:07  thassine

	* src/: graphics/mm1docv.cpp, graphics/mm2docv.cpp,
	graphics/qm1docv.cpp, target3/t3main.cpp, target3/t3main.h,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h, target3/t3qm1docv.cpp,
	target3/t3qm1docv.h: the 4 first shortcut buttons work now.

2001-07-30 11:14  thassine

	* src/graphics/: mm1docv.cpp, mm2docv.cpp, qm2docv.cpp, qm2docv.h:
	added MeasureEvent() also to (obsolete) qm2_mdl.

2001-07-28 21:46  hutchisn

	* src/: graphics/camera.cpp, graphics/docview.h,
	graphics/mm1docv.cpp, graphics/mm1docv.h, graphics/mm1rbn.cpp,
	graphics/mm2docv.cpp, graphics/mm2docv.h, graphics/qm1docv.cpp,
	graphics/qm1docv.h, target3/t3mm1docv.cpp: Add preliminary measure
	tool code. Works well--need to add "modes"

2001-07-24 20:04  hutchisn

	* src/graphics/: docview.h, mm1docv.cpp, mm1docv.h, mtools.cpp:
	Change rendering to support more prefs--including passing prefs for
	element colors.

2001-07-24 20:00  hutchisn

	* src/graphics/: camera.cpp, camera.h: Improve selection with
	wireframe slightly and add Measure enum.

2001-07-24 19:56  hutchisn

	* src/common/: utility.cpp, utility.h: Change elements to allow
	prefs class to override colors and VdW radii.

2001-07-24 19:55  hutchisn

	* src/: common/prefs.cpp, common/prefs.h, target3/t3prefs.cpp,
	target3/t3prefs.h: Add Color methods

2001-07-24 19:55  hutchisn

	* src/common/: filetrans.cpp, mm1mdl.cpp: Fix OELib bond
	synchronization and switch hydrogens to use OELib method.

2001-07-24 02:10  hutchisn

	* src/target3/: t3main.cpp, pixmaps/bond.xpm, pixmaps/chain.xpm,
	pixmaps/element.xpm, pixmaps/invert.xpm, pixmaps/molecule.xpm,
	pixmaps/residue.xpm: Added sample pixmaps for shortcut bar.

2001-07-22 17:28  thassine

	* src/target1/: t1m_mm2param_cpp.h, t1m_mm2param_h.h: added some
	files for mm2_mdl.

2001-07-22 16:37  thassine

	* miniMOPAC/README, miniMOPAC/dgetf2.c, miniMOPAC/dgetri.c,
	miniMOPAC/dlaswp.c, miniMOPAC/dtrti2.c, miniMOPAC/ef.c,
	src/common/Makefile.OLD, src/common/factory.cpp,
	src/common/factory.h, src/common/prefs.cpp, src/common/prefs.h,
	src/common/qm1e_mopac.cpp, src/common/qm1e_mopac.h,
	src/common/qm1e_mpqc.cpp, src/graphics/Makefile.OLD,
	src/target1/Makefile.OLD, src/target2/Makefile.OLD,
	src/target2/t2views.cpp, src/target2/t2views.h,
	src/target3/Makefile.OLD, src/target3/t3mm1docv.cpp,
	src/target3/t3prefs.cpp, src/target3/t3prefs.h,
	src/target3/t3qm1docv.cpp, src/target3/t3views.h: some mopac/mpqc
	conflicts fixed, and mopac intermediate files FOR005 FOR006
	SHUTDOWN cleaned.

2001-07-20 22:30  hutchisn

	* src/: common/factory.h, common/model.cpp, common/model.h,
	graphics/mm1docv.cpp, target3/t3prefs.cpp, target3/t3prefs.h,
	target3/t3views.cpp, target3/t3views.h: Finished implementation of
	prefs class through GNOME config classes. Currently  nothing sets
	prefs from the code, and rendering is an example of accessing pref
	values.

2001-07-09 16:07  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/mm2mdl.cpp,
	common/mm2mdl.h, common/model.cpp, common/model.h,
	common/qm1mdl.cpp, graphics/camera.cpp, graphics/mm1docv.cpp,
	graphics/mm1docv.h, graphics/mm2docv.cpp, graphics/mm2docv.h,
	graphics/qm1docv.cpp, graphics/views.cpp, target2/t2mm1docv.cpp:
	some comments added and arrangements done for stereo image viewing.

2001-06-29 15:15  thassine

	* src/common/: intcrd.cpp, intcrd.h, mm1ic.cpp, mm1ic.h: ooops,
	forgot to add some files in the last commit.

2001-06-29 15:12  thassine

	* src/: common/Makefile.OLD, common/Makefile.in, common/mm1alg.cpp,
	common/mm1alg.h, common/mm1mdl.cpp, common/mm1mdl.h,
	common/mm2mdl.cpp, common/model.cpp, common/model.h,
	common/qm1mdl.cpp, target2/t2mm1docv.cpp: some groundwork added for
	mm1_mdl multiple crd_sets and conformational search tools.

2001-06-25 14:21  thassine

	* bin/user-docs/index.html, src/common/notice.cpp,
	src/common/notice.h, src/target3/t3main.cpp: minor updates in
	user's manual and copyright notices (MOPAC included).

2001-06-21 11:49  thassine

	* CHANGES, src/graphics/camera.cpp, src/graphics/docview.cpp,
	src/graphics/docview.h, src/target3/t3docv.cpp,
	src/target3/t3docv.h, src/target3/t3main.cpp,
	src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h,
	src/target3/t3mm2docv.cpp, src/target3/t3mm2docv.h,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h,
	src/target3/t3views.cpp, src/target3/t3views.h: gnome MDI system
	revised; one view/child (GtkNotebook container), project views now
	grouped together.

2001-06-19 16:15  thassine

	* miniMOPAC/etime.c, src/common/conjgrad.h, src/common/errutil.cpp,
	src/common/factory.cpp, src/common/filetrans.cpp,
	src/common/filetrans.h, src/common/mm1eng.cpp, src/common/mm1eng.h,
	src/common/mm1eng1.cpp, src/common/mm1eng1.h,
	src/common/mm1eng9.cpp, src/common/mm1eng9.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/mm1tab1.cpp,
	src/common/mm1tab1.h, src/common/mm1tab9.cpp, src/common/mm1tab9.h,
	src/common/mm1util.cpp, src/common/mm1util.h,
	src/common/mm2eng.cpp, src/common/mm2eng.h, src/common/mm2mdl.h,
	src/common/mm2util.h, src/common/model.cpp, src/common/model.h,
	src/common/notice.cpp, src/common/notice.h, src/common/prefs.cpp,
	src/common/qm1e_mopac.cpp, src/common/qm1e_mpqc.cpp,
	src/common/qm1e_mpqc.h, src/common/qm1mdl.cpp, src/common/qm1mdl.h,
	src/common/typedef.h, src/common/utility.cpp, src/common/v3d.h,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/mm1docv.cpp, src/graphics/mm2docv.cpp,
	src/graphics/objects.cpp, src/graphics/objects.h,
	src/graphics/plane.cpp, src/graphics/surface.cpp,
	src/graphics/surface.h, src/target2/t2main.h,
	src/target2/t2mm1docv.cpp, src/target2/t2mm2docv.cpp,
	src/target2/t2views.cpp, src/target2/t2views.h,
	src/target3/glade_callbacks.cpp, src/target3/glade_interface.cpp,
	src/target3/t3dialog.cpp, src/target3/t3docv.cpp,
	src/target3/t3docv.h, src/target3/t3errutil.cpp,
	src/target3/t3main.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm2docv.cpp, src/target3/t3prefs.cpp,
	src/target3/t3qm1docv.cpp, src/target3/t3views.cpp,
	src/target3/t3views.h: some cleanups done for redhat7.1 (seems to
	work) and gcc3.0 (still some stl/namespace problems?).

2001-06-13 16:30  thassine

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h, t3mm2docv.cpp,
	t3mm2docv.h, t3qm1docv.cpp, t3qm1docv.h: some menuitems added, and
	an initial mm1gp <-> qm1gp conversion feature

2001-05-28 15:47  thassine

	* src/common/filetrans.cpp: some comments added

2001-05-23 16:28  thassine

	* src/: common/factory.h, common/mm1mdl.cpp, common/mm1mdl.h,
	common/mm2mdl.cpp, target2/t2views.h, target3/t3views.h: just some
	cleanups here and there

2001-05-21 17:45  thassine

	* src/common/mm1mdl.cpp: again some readpdb tweaks.

2001-05-21 13:39  thassine

	* src/common/: mm1mdl.cpp, mm1mdl.h: some readpdb changes again

2001-05-18 16:09  thassine

	* src/common/: factory.cpp, factory.h: ooops, forgot to add the
	class_factory files...

2001-05-18 16:07  thassine

	* CHANGES, src/common/Makefile.OLD, src/common/Makefile.in,
	src/common/errutil.cpp, src/common/errutil.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/mm2mdl.cpp,
	src/common/mm2mdl.h, src/common/model.cpp, src/common/model.h,
	src/common/qm1mdl.cpp, src/common/qm1mdl.h, src/common/qm2mdl.cpp,
	src/common/qm2mdl.h, src/graphics/docview.cpp,
	src/graphics/docview.h, src/graphics/mm1docv.cpp,
	src/graphics/mm1docv.h, src/graphics/mm2docv.cpp,
	src/graphics/mm2docv.h, src/graphics/qm1docv.cpp,
	src/graphics/qm1docv.h, src/graphics/qm2docv.cpp,
	src/graphics/qm2docv.h, src/graphics/views.h,
	src/target1/t1main.cpp, src/target2/t2docv.cpp,
	src/target2/t2docv.h, src/target2/t2main.cpp,
	src/target2/t2mm1docv.cpp, src/target2/t2mm1docv.h,
	src/target2/t2mm2docv.cpp, src/target2/t2mm2docv.h,
	src/target2/t2qm1docv.cpp, src/target2/t2qm1docv.h,
	src/target2/t2qm2docv.cpp, src/target2/t2qm2docv.h,
	src/target2/t2views.cpp, src/target2/t2views.h,
	src/target3/t3docv.cpp, src/target3/t3docv.h,
	src/target3/t3errutil.cpp, src/target3/t3errutil.h,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h,
	src/target3/t3mm2docv.cpp, src/target3/t3mm2docv.h,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h,
	src/target3/t3qm2docv.cpp, src/target3/t3qm2docv.h,
	src/target3/t3views.cpp, src/target3/t3views.h: many factory
	classes combined to class_factory.

2001-05-16 14:30  thassine

	* src/target3/t3main.cpp: just added some buttons, to see what it
	looks like...

2001-05-16 06:56  hutchisn

	* src/: common/Makefile.in, common/prefs.cpp, common/prefs.h,
	target3/Makefile.in, target3/t3prefs.cpp, target3/t3prefs.h: Add
	new "prefs" class to interface with gnome-config to allow
	user-config for various things.

2001-05-15 14:57  thassine

	* src/common/mm1mdl.cpp: again some fixes to readpdb

2001-05-15 11:49  thassine

	* src/common/mm1mdl.cpp: just some fixes added to readpdb

2001-05-14 12:10  thassine

	* src/: common/mm1mdl.cpp, target3/t3mm1docv.cpp: organized menus a
	bit, some changes to readpdb

2001-05-11 18:18  hutchisn

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h: Add stubs for export
	graphics, as well as "zap all" and "compute formula"

2001-05-11 15:10  thassine

	* src/: graphics/mtools.cpp, graphics/mtools.h, graphics/views.cpp,
	graphics/views.h, target3/t3main.cpp, target3/t3main.h: switched to
	a single measure tool, multiple toolbars added.

2001-05-08 14:25  thassine

	* miniMOPAC/Makefile: miniMOPAC/Makefile removed; configure will
	update it.

2001-05-08 14:22  thassine

	* miniMOPAC/Makefile, miniMOPAC/Makefile.OLD, src/Makefile.OLD,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/mm2mdl.cpp,
	src/common/mm2mdl.h, src/common/model.h, src/target2/t2mm2docv.cpp:
	some improvements to readpdb; it now reads multiple crd-sets
	present in NMR entries

2001-05-07 17:33  hutchisn

	* src/graphics/Makefile.in: Remove io-* from build list until GNOME
	catches up (!)

2001-05-04 23:32  hutchisn

	* src/target3/: t3main.cpp, t3main.h: Add buttons for measure
	tools.

2001-05-04 23:31  hutchisn

	* src/graphics/: mtools.cpp, mtools.h, views.cpp, views.h: Add
	tools for measurements.

2001-05-04 23:30  hutchisn

	* src/target3/pixmaps/: .cvsignore, angle.xpm, dihedral.xpm,
	distance.xpm, draw.xpm, erase.xpm, orb_xy.xpm, orb_z.xpm,
	rot_xy.xpm, rot_z.xpm, select.xpm, trans_xy.xpm, trans_z.xpm,
	zoom.xpm: Add transparency to button pics and buttons for measure
	tools.

2001-05-04 21:28  hutchisn

	* src/: graphics/docview.cpp, graphics/docview.h,
	target3/t3docv.cpp, target3/t3docv.h: Changes to make sure window
	titles update when importing.

2001-05-04 21:27  hutchisn

	* src/target3/Makefile.in: Make sure miniMOPAC is compiled in.

2001-05-04 21:26  hutchisn

	* src/graphics/Makefile.in: Compile io-* for exporting.

2001-05-04 19:39  hutchisn

	* src/common/: mm1mdl.cpp, mm1mdl.h: Added CLear and DoFormula
	methods.

2001-05-04 19:38  hutchisn

	* src/common/Makefile.in: Remove EXTERN_GLOBALS -- not needed

2001-05-04 19:37  hutchisn

	* src/graphics/: io-jpg.cpp, io-jpg.h, io-png.cpp, io-png.h: Add
	GNOME code for exporting GdkPixbuf -> PNG or JPEG files.

2001-05-03 19:52  hutchisn

	* Makefile.in, configure, configure.in, miniMOPAC/Makefile.in:
	Update for miniMOPAC, test for g2c/f2c library (hopefully).

2001-05-03 19:50  hutchisn

	* src/target3/glade/: ghemical.glade, src/glade_interface.cpp,
	src/glade_interface.h, src/glade_support.cpp: Add Element options
	dialog to glade.

2001-05-02 12:31  thassine

	* src/common/mm1mdl.cpp: added a small fix to readpdb so that it
	can read also NMR entries.

2001-04-30 13:58  thassine

	* src/common/: mm1mdl.cpp, mm1mdl.h: some improvements to
	readpdb-functions.

2001-04-27 15:40  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, target2/t2mm1docv.cpp,
	target2/t2mm2docv.cpp: revived ImportENT_OLD and changed them to
	readpdb-functions (for advanced PDB file imports)

2001-04-24 14:10  thassine

	* INSTALL, src/common/Makefile.OLD, src/target3/t3dialog.cpp:
	documentation, old makefile, t3 bondtype dialog fixed a bit.

2001-04-20 13:11  thassine

	* src/: common/Makefile.OLD, common/Makefile.in, common/mm1mdl.cpp,
	common/mm1mdl.h, common/mm2alg.cpp, common/mm2alg.h,
	common/mm2mdl.h, common/model.h, target2/t2mm2docv.cpp: continued
	merging the mm2_mdl.

2001-04-19 13:16  thassine

	* src/: common/mm1mdl.h, common/mm2eng.h, common/mm2mdl.cpp,
	common/mm2mdl.h, common/mm2util.cpp, common/mm2util.h,
	common/model.cpp, common/model.h, common/qm1mdl.h,
	graphics/mm2docv.cpp, graphics/mm2docv.h, graphics/qm2docv.h,
	target2/t2mm1docv.h, target2/t2mm2docv.cpp, target2/t2qm1docv.h,
	target2/t2qm2docv.h: continued merging the mm2_mdl, plus some
	cleanups.

2001-04-18 14:04  thassine

	* CHANGES, bin/parameters/mm2param/loopdip.txt,
	bin/parameters/mm2param/looptor.txt, src/common/Makefile.OLD,
	src/common/Makefile.in, src/common/mm1mdl.h, src/common/mm1util.h,
	src/common/mm2eng.cpp, src/common/mm2eng.h, src/common/mm2mdl.cpp,
	src/common/mm2mdl.h, src/graphics/mm2docv.cpp,
	src/graphics/mm2docv.h, src/target2/t2mm1docv.cpp,
	src/target2/t2mm2docv.cpp, src/target2/t2mm2docv.h,
	src/target3/t3mm2docv.cpp, src/target3/t3mm2docv.h: started merging
	the mm2_mdl code (accepted for publication :)

2001-04-18 11:22  thassine

	* CHANGES, miniMOPAC/Makefile, miniMOPAC/Makefile.OLD,
	miniMOPAC/README, miniMOPAC/aababc.c, miniMOPAC/addfck.c,
	miniMOPAC/addhcr.c, miniMOPAC/addnuc.c, miniMOPAC/analyt.c,
	miniMOPAC/anavib.c, miniMOPAC/axis.c, miniMOPAC/block.c,
	miniMOPAC/bonds.c, miniMOPAC/brlzon.c, miniMOPAC/btoc.c,
	miniMOPAC/calpar.c, miniMOPAC/capcor.c, miniMOPAC/cdiag.c,
	miniMOPAC/chrge.c, miniMOPAC/cnvg.c, miniMOPAC/compfg.c,
	miniMOPAC/consts.c, miniMOPAC/cqden.c, miniMOPAC/datin.c,
	miniMOPAC/dcart.c, miniMOPAC/delmol.c, miniMOPAC/delri.c,
	miniMOPAC/denrot.c, miniMOPAC/densit.c, miniMOPAC/depvar.c,
	miniMOPAC/deri0.c, miniMOPAC/deri1.c, miniMOPAC/deri2.c,
	miniMOPAC/deri21.c, miniMOPAC/deri22.c, miniMOPAC/deri23.c,
	miniMOPAC/deritr.c, miniMOPAC/deriv.c, miniMOPAC/dernvo.c,
	miniMOPAC/ders.c, miniMOPAC/dfock2.c, miniMOPAC/dfpsav.c,
	miniMOPAC/dgemm.c, miniMOPAC/dgemv.c, miniMOPAC/dger.c,
	miniMOPAC/dgetf2.c, miniMOPAC/dgetrf.c, miniMOPAC/dgetri.c,
	miniMOPAC/diag.c, miniMOPAC/diat.c, miniMOPAC/diat2.c,
	miniMOPAC/diegrd.c, miniMOPAC/dielen.c, miniMOPAC/diis.c,
	miniMOPAC/dijkl1.c, miniMOPAC/dijkl2.c, miniMOPAC/dipind.c,
	miniMOPAC/dipole.c, miniMOPAC/dlaswp.c, miniMOPAC/dofs.c,
	miniMOPAC/dot.c, miniMOPAC/drc.c, miniMOPAC/drcout.c,
	miniMOPAC/dtrmm.c, miniMOPAC/dtrmv.c, miniMOPAC/dtrsm.c,
	miniMOPAC/dtrti2.c, miniMOPAC/dtrtri.c, miniMOPAC/dvfill.c,
	miniMOPAC/ef.c, miniMOPAC/enpart.c, miniMOPAC/esp.c,
	miniMOPAC/etime.c, miniMOPAC/exchng.c, miniMOPAC/fdate.c,
	miniMOPAC/ffhpol.c, miniMOPAC/flepo.c, miniMOPAC/fmat.c,
	miniMOPAC/fock1.c, miniMOPAC/fock2.c, miniMOPAC/force.c,
	miniMOPAC/formxy.c, miniMOPAC/forsav.c, miniMOPAC/frame.c,
	miniMOPAC/freqcy.c, miniMOPAC/geout.c, miniMOPAC/geoutg.c,
	miniMOPAC/getgeg.c, miniMOPAC/getgeo.c, miniMOPAC/getsym.c,
	miniMOPAC/gettxt.c, miniMOPAC/gmetry.c, miniMOPAC/gover.c,
	miniMOPAC/greenf.c, miniMOPAC/grid.c, miniMOPAC/h1elec.c,
	miniMOPAC/haddon.c, miniMOPAC/hcore.c, miniMOPAC/helect.c,
	miniMOPAC/hqrii.c, miniMOPAC/ijkl.c, miniMOPAC/ilaenv.c,
	miniMOPAC/initsv.c, miniMOPAC/interp.c, miniMOPAC/iter.c,
	miniMOPAC/jcarin.c, miniMOPAC/linmin.c, miniMOPAC/local.c,
	miniMOPAC/locmin.c, miniMOPAC/lsame.c, miniMOPAC/makpol.c,
	miniMOPAC/mamult.c, miniMOPAC/matou1.c, miniMOPAC/matout.c,
	miniMOPAC/matpak.c, miniMOPAC/meci.c, miniMOPAC/mecid.c,
	miniMOPAC/mecih.c, miniMOPAC/mecip.c, miniMOPAC/minimopac.c,
	miniMOPAC/moldat.c, miniMOPAC/molval.c, miniMOPAC/mullik.c,
	miniMOPAC/mult.c, miniMOPAC/nllsq.c, miniMOPAC/nuchar.c,
	miniMOPAC/parsav.c, miniMOPAC/partxy.c, miniMOPAC/pathk.c,
	miniMOPAC/paths.c, miniMOPAC/perm.c, miniMOPAC/polar.c,
	miniMOPAC/powsav.c, miniMOPAC/powsq.c, miniMOPAC/prtdrc.c,
	miniMOPAC/quadr.c, miniMOPAC/react1.c, miniMOPAC/reada.c,
	miniMOPAC/readmo.c, miniMOPAC/refer.c, miniMOPAC/repp.c,
	miniMOPAC/rotat.c, miniMOPAC/rotate.c, miniMOPAC/rsp.c,
	miniMOPAC/search.c, miniMOPAC/second.c, miniMOPAC/setupg.c,
	miniMOPAC/solrot.c, miniMOPAC/swap.c, miniMOPAC/sympro.c,
	miniMOPAC/symtry.c, miniMOPAC/symtrz.c, miniMOPAC/thermo.c,
	miniMOPAC/timer.c, miniMOPAC/timout.c, miniMOPAC/update.c,
	miniMOPAC/upsurf.c, miniMOPAC/vecprt.c, miniMOPAC/writmo.c,
	miniMOPAC/wrtkey.c, miniMOPAC/wrttxt.c, miniMOPAC/xerbla.c,
	miniMOPAC/xyzint.c, src/common/Makefile.OLD,
	src/common/Makefile.in, src/common/errutil.cpp,
	src/common/qm1alg.cpp, src/common/qm1alg.h,
	src/common/qm1e_mopac.cpp, src/common/qm1e_mopac.h,
	src/common/qm1e_mpqc.cpp, src/common/qm1e_mpqc.h,
	src/common/qm1eng.cpp, src/common/qm1eng.h, src/common/qm1eng1.cpp,
	src/common/qm1eng1.h, src/common/qm1eng9.cpp, src/common/qm1eng9.h,
	src/common/qm1mdl.cpp, src/common/qm1mdl.h, src/graphics/camera.h,
	src/graphics/mm1docv.cpp, src/graphics/qm1docv.cpp,
	src/graphics/qm1docv.h, src/target1/Makefile.OLD,
	src/target2/Makefile.OLD, src/target2/t2mm1docv.h,
	src/target2/t2qm1docv.cpp, src/target2/t2qm1docv.h,
	src/target3/Makefile.OLD, src/target3/t3qm1docv.cpp,
	src/target3/t3qm1docv.h: added miniMOPAC and QM geometry
	optimization.

2001-03-30 13:21  thassine

	* configure, configure.in, src/common/define.h: switched back to
	devel settings; the version number is now 0.43

2001-03-30 11:30  thassine

	* CHANGES, src/common/define.h, src/common/notice.cpp,
	src/target3/t3main.cpp, src/target3/t3mm1docv.cpp,
	src/target3/t3mm2docv.cpp, src/target3/t3qm1docv.cpp: minor
	cleanups; this is released as 0.42

2001-03-28 14:08  thassine

	* src/: common/model.cpp, common/typedef.h, graphics/mm1docv.cpp,
	target1/Makefile.OLD, target2/Makefile.OLD, target3/Makefile.OLD:
	some comments added, X11/ogl headers and libs removed from TARGET1.

2001-03-22 18:43  hutchisn

	* src/graphics/mm1docv.cpp: Add new multiple-bond rendering. Now
	uses line stipple to render conjugated bonds fairly well.

2001-03-22 17:51  thassine

	* src/: common/mm1util.h, graphics/mm1rbn.cpp,
	target2/t2mm1docv.cpp, target3/t3mm1docv.cpp: the bug with ribbon
	objects should now be fixed.

2001-03-19 13:46  thassine

	* src/common/: filetrans.cpp, filetrans.h: added syncronization for
	bonds into file_trans::Synchronize().

2001-03-16 14:17  thassine

	* src/: common/filetrans.cpp, common/mm1mdl.cpp,
	common/utility.cpp, common/utility.h, target2/t2mm1docv.cpp: oelib
	syncronization and other small improvements.

2001-03-15 20:50  hutchisn

	* src/common/filetrans.cpp: Fix "the bug" with calling extab before
	it was properly set.

2001-03-15 13:15  thassine

	* src/common/: filetrans.cpp, filetrans.h: switched to a less
	complicated way to do oelib compatibility

2001-03-14 18:40  hutchisn

	* bin/examples/PeriodicTable.mm1gp, src/common/utility.cpp,
	src/common/utility.h: Fixed atom colors and add example Periodic
	Table.

2001-03-14 15:00  thassine

	* CHANGES, configure, configure.in, src/common/define.h,
	src/common/filetrans.cpp, src/common/filetrans.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/utility.cpp,
	src/common/utility.h, src/graphics/Makefile.OLD,
	src/graphics/Makefile.in, src/target1/Makefile.OLD,
	src/target2/Makefile.OLD, src/target2/t2mm1docv.cpp,
	src/target3/Makefile.OLD, src/target3/Makefile.in: some mm1_mdl <=>
	oelib compatibility features started.

2001-03-12 14:00  thassine

	* BUGLIST, CHANGES, INSTALL, PROJECT,
	bin/examples/2-chlorobutane.mm1gp,
	bin/examples/3-phenylpropanal.mm1gp,
	bin/examples/acetylsalicylic_acid.mm1gp,
	bin/examples/alpha-pinene.mm1gp, bin/examples/bromobenzene.mm1gp,
	bin/examples/camphor.mm1gp, bin/examples/cinnamaldehyde.mm1gp,
	bin/examples/cis-2-pentene.mm1gp, bin/examples/cyclohexane.mm1gp,
	bin/examples/naphtalene.mm1gp, src/common/mm1mdl.cpp,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/target3/t3docv.h, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h, src/target3/t3qm1docv.cpp,
	src/target3/t3qm1docv.h, src/target3/t3views.cpp: this is released
	as version 0.41

2001-03-09 00:54  hutchisn

	* src/: common/define.h, graphics/mm1docv.cpp,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h: Add support for label
	Atom IDs

2001-03-09 00:53  hutchisn

	* src/common/mm1mdl.cpp: ReadStream changes to support reading
	charges

2001-03-09 00:53  hutchisn

	* src/common/notice.cpp: Update copyright with OELib info.

2001-03-09 00:51  hutchisn

	* src/common/filetrans.cpp: Update for new OELib changes.

2001-03-09 00:49  hutchisn

	* Makefile.in: Add target for help files.

2001-03-08 16:59  thassine

	* CHANGES, src/common/notice.cpp, src/common/notice.h,
	src/target3/t3main.cpp, src/target3/t3main.h: added the Help/Help
	item to the main menu, copyright notices updated to include OELib

2001-03-08 15:51  thassine

	* bin/user-docs/: index.html, maintools.jpg: updated the user's
	manual

2001-02-16 17:14  thassine

	* src/Makefile.OLD: this will make quick test builds easier.

2001-02-16 16:29  thassine

	* bin/user-docs/index.html: added some framework for the user
	manual

2001-02-13 16:32  thassine

	* INSTALL, src/target3/t3main.cpp, src/target3/t3qm1docv.cpp,
	src/target3/t3qm1docv.h: added some quick improvements to qm1-model
	to boost its ease of use.

2001-02-12 19:07  hutchisn

	* configure, configure.in: Solved configure problems with MPQC and
	oelib.

2001-02-12 18:25  hutchisn

	* configure, configure.in: Fix problem with configure in srcdir.

2001-02-12 11:41  thassine

	* src/: common/Makefile.OLD, common/qm1eng1.cpp, common/qm1mdl.cpp,
	graphics/Makefile.OLD, graphics/camera.cpp, graphics/docview.cpp,
	graphics/mm1docv.cpp, graphics/mm1rbn.cpp, graphics/mm2docv.cpp,
	graphics/mm2rbn.cpp, graphics/mtools.cpp, graphics/objects.cpp,
	graphics/plane.cpp, graphics/qm1docv.cpp, graphics/qm2docv.cpp,
	graphics/surface.cpp, graphics/views.cpp, target1/Makefile.OLD,
	target1/config.h.OLD, target2/Makefile.OLD, target2/config.h.OLD,
	target3/Makefile.OLD, target3/config.h.OLD: a bug that affected
	MPQC front end compilation is now fixed (thanks Mark).

2001-02-11 16:36  thassine

	* CHANGES, bin/examples/1gar.mm2gp, bin/examples/1hcl.mm2gp,
	bin/examples/4rhn.mm2gp, src/common/Makefile.OLD,
	src/common/Makefile.in, src/common/mm2mdl.cpp, src/common/mm2mdl.h,
	src/common/mm2util.cpp, src/common/mm2util.h, src/common/model.h,
	src/graphics/Makefile.OLD, src/graphics/Makefile.in,
	src/graphics/mm2docv.cpp, src/graphics/mm2docv.h,
	src/graphics/mm2rbn.cpp, src/graphics/mm2rbn.h,
	src/graphics/views.h, src/target2/Makefile.OLD,
	src/target2/t2main.cpp, src/target2/t2main.h,
	src/target2/t2mm2docv.cpp, src/target2/t2mm2docv.h,
	src/target3/Makefile.OLD, src/target3/Makefile.in,
	src/target3/t3docv.h, src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm2docv.cpp, src/target3/t3mm2docv.h,
	src/target3/t3views.h: tadaall added a preview version of the
	reduced protein modelling thing.

2001-02-10 17:09  thassine

	* INSTALL, configure, configure.in, src/common/define.h,
	src/common/engine.h, src/common/mm1mdl.cpp, src/common/qm1mdl.cpp,
	src/target3/t3views.cpp: changed back to devel settings (version
	number, releasedate); small fixes appled here and there.

2001-02-07 11:24  thassine

	* small-utilities/README, small-utilities/gp2mpqc.cpp,
	src/graphics/spline.h, src/graphics/views.h: added some final fixes
	to documentation; this is released as 0.40

2001-02-06 20:24  hutchisn

	* src/common/filetrans.cpp: Fix bug with GetImportDescription.

2001-02-06 15:10  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, graphics/docview.h,
	graphics/mm1docv.cpp, graphics/mm1docv.h, target2/t2docv.h,
	target3/t3docv.h, target3/t3errutil.h, target3/t3main.h,
	target3/t3mm1docv.h, target3/t3qm1docv.h, target3/t3views.h: added
	some more DOC++ style documentation.

2001-02-06 11:21  thassine

	* AUTHORS, CHANGES, INSTALL, PROJECT: revised/updated some
	documentation.

2001-02-06 10:44  thassine

	* configure, configure.in, src/common/define.h,
	src/common/notice.cpp, src/target3/glade_callbacks.cpp,
	src/target3/glade_interface.cpp, src/target3/glade_interface.h:
	some cleanups at glade optionmenus; the version number promoted to
	0.40

2001-02-06 08:17  hutchisn

	* src/target3/glade_callbacks.cpp: Use file_trans methods to
	specifically request a file type when the user picks it or
	"Automatic" based on the file name.

2001-02-06 08:16  hutchisn

	* src/common/: filetrans.cpp, filetrans.h: Add support for
	specifically requesting an import or export type (by index #).

2001-02-05 17:26  thassine

	* src/target3/glade_callbacks.cpp: the file import/export dialogs
	seem to work now...

2001-02-05 16:48  thassine

	* src/target3/: glade_callbacks.cpp, glade_interface.cpp,
	glade_interface.h: the filename change is done also in oelib; the
	file import/export dialogs almost work now.

2001-02-05 15:55  thassine

	* src/target3/: glade_callbacks.cpp, glade_callbacks.h,
	glade_interface.cpp, glade_interface.h, t3mm1docv.cpp,
	t3qm1docv.cpp, glade/ghemical.glade, glade/src/glade_callbacks.cpp,
	glade/src/glade_callbacks.h, glade/src/glade_interface.cpp,
	glade/src/glade_interface.h, glade/src/main.cpp: changed the glade
	project and code so that each dialog (and most important widgets)
	have their own simple namespace.

2001-02-04 20:30  thassine

	* src/: common/qm1eng.cpp, common/qm1eng.h, common/qm1mdl.cpp,
	common/qm1mdl.h, common/qm2eng.cpp, common/qm2eng.h,
	common/qm2mdl.cpp, common/qm2mdl.h, graphics/qm1docv.cpp,
	graphics/qm1docv.h, graphics/qm2docv.cpp, graphics/qm2docv.h,
	target2/t2qm1docv.cpp, target2/t2qm1docv.h, target2/t2qm2docv.cpp,
	target2/t2qm2docv.h, target3/t3qm1docv.cpp, target3/t3qm1docv.h,
	target3/t3qm2docv.cpp, target3/t3qm2docv.h: some files were lost in
	the last commit; added them back...

2001-02-04 20:11  thassine

	* CHANGES, INSTALL, bin/examples/2-chlorobutane.gpMM,
	bin/examples/2-chlorobutane.mm1gp,
	bin/examples/3-phenylpropanal.gpMM,
	bin/examples/3-phenylpropanal.mm1gp,
	bin/examples/acetylsalicylic_acid.gpMM,
	bin/examples/acetylsalicylic_acid.mm1gp,
	bin/examples/alpha-pinene.gpMM, bin/examples/alpha-pinene.mm1gp,
	bin/examples/bromobenzene.gpMM, bin/examples/bromobenzene.mm1gp,
	bin/examples/camphor.gpMM, bin/examples/camphor.mm1gp,
	bin/examples/cinnamaldehyde.gpMM,
	bin/examples/cinnamaldehyde.mm1gp, bin/examples/cis-2-pentene.gpMM,
	bin/examples/cis-2-pentene.mm1gp, bin/examples/cyclohexane.gpMM,
	bin/examples/cyclohexane.mm1gp, bin/examples/naphtalene.gpMM,
	bin/examples/naphtalene.mm1gp, src/common/Makefile.OLD,
	src/common/Makefile.in, src/common/mm1mdl.cpp, src/common/mm1mdl.h,
	src/common/model.h, src/common/qm1eng.cpp, src/common/qm1eng.h,
	src/common/qm1eng1.cpp, src/common/qm1eng1.h,
	src/common/qm1eng9.cpp, src/common/qm1eng9.h,
	src/common/qm1mdl.cpp, src/common/qm1mdl.h, src/common/qm2eng.cpp,
	src/common/qm2eng.h, src/common/qm2eng1.cpp, src/common/qm2eng1.h,
	src/common/qm2eng9.cpp, src/common/qm2eng9.h,
	src/common/qm2mdl.cpp, src/common/qm2mdl.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/graphics/qm2docv.cpp, src/graphics/qm2docv.h,
	src/target1/t1main.cpp, src/target2/t2main.cpp,
	src/target2/t2qm1docv.cpp, src/target2/t2qm1docv.h,
	src/target2/t2qm2docv.cpp, src/target2/t2qm2docv.h,
	src/target3/glade_callbacks.cpp, src/target3/glade_interface.cpp,
	src/target3/glade_interface.h, src/target3/t3docv.h,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h,
	src/target3/t3qm2docv.cpp, src/target3/t3qm2docv.h,
	src/target3/t3views.h, src/target3/glade/ghemical.glade,
	src/target3/glade/src/glade_interface.cpp,
	src/target3/glade/src/glade_interface.h,
	src/target3/glade/src/main.cpp: swapped the classnames qm1* and qm2
	(as well as filenames) in an effort to make the class naming scheme
	more reasonnable (now we have a clear division in mm/qm, and the
	all-atoms classes (most used) have numbers 1); also changed nicer
	filename extensions.

2001-02-02 18:27  thassine

	* src/: common/mm1alg.h, common/mm1mdl.cpp, target2/t2mm1docv.cpp,
	target3/glade_callbacks.cpp, target3/glade_interface.cpp,
	target3/t3dialog.h, target3/t3mm1docv.cpp, target3/t3mm1docv.h,
	target3/glade/ghemical.glade,
	target3/glade/src/glade_interface.cpp: the trajectory viewer works
	now (as a modal dialog, but anyway).

2001-01-31 19:32  thassine

	* CHANGES, src/common/errutil.cpp, src/common/errutil.h,
	src/common/mm1alg.h, src/common/mm1mdl.cpp, src/common/mm1mdl.h,
	src/common/model.h, src/common/qm2mdl.cpp, src/common/qm2mdl.h,
	src/graphics/docview.h, src/graphics/mm1docv.cpp,
	src/graphics/mm1docv.h, src/graphics/qm2docv.cpp,
	src/graphics/qm2docv.h, src/target2/t2mm1docv.cpp,
	src/target2/t2mm1docv.h, src/target2/t2qm2docv.cpp,
	src/target2/t2qm2docv.h, src/target3/t3errutil.cpp,
	src/target3/t3errutil.h, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h, src/target3/t3qm2docv.cpp,
	src/target3/t3qm2docv.h: changed MM trajectory file format; some
	Do???-functions moved to model (and are now accessible in TARGET1
	also).

2001-01-30 21:44  hutchisn

	* src/: common/filetrans.cpp, common/filetrans.h,
	common/utility.cpp, target3/glade_interface.cpp,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h: Switch to new
	GLADE-designed import/export boxes.

2001-01-30 17:21  thassine

	* src/: common/mm1alg.h, graphics/mm1docv.cpp, graphics/mm1docv.h,
	target2/t2mm1docv.cpp, target2/t2mm1docv.h,
	target3/glade_callbacks.cpp, target3/glade_callbacks.h,
	target3/glade_interface.cpp, target3/glade_interface.h,
	target3/glade_support.cpp, target3/t3mm1docv.cpp,
	target3/t3mm1docv.h, target3/glade/ghemical.glade,
	target3/glade/src/Makefile, target3/glade/src/glade_callbacks.cpp,
	target3/glade/src/glade_callbacks.h,
	target3/glade/src/glade_interface.cpp: the geomopt/moldyn dialogs
	should now mostly work (except the traj filename).

2001-01-29 17:54  thassine

	* src/target3/: glade_interface.cpp, glade_interface.h,
	t3mm1docv.cpp, glade/ghemical.glade, glade/src/glade_interface.cpp,
	glade/src/glade_interface.h, glade/src/glade_support.cpp,
	glade/src/main.cpp: added geomopt and moldyn dialogs, but wont work
	yet (just press cancel)

2001-01-25 15:45  thassine

	* src/: common/conjgrad.h, common/define.h, common/engine.h,
	common/errutil.h, common/mm1alg.h, common/mm1eng.h,
	common/mm1eng1.cpp, common/mm1eng1.h, common/mm1eng9.cpp,
	common/mm1eng9.h, common/mm1mdl.h, common/mm1tab1.cpp,
	common/mm1tab1.h, common/mm1tab9.cpp, common/mm1tab9.h,
	common/mm1util.h, common/model.h, common/qm1eng.h, common/qm1mdl.h,
	common/qm2eng.h, common/qm2eng1.h, common/qm2mdl.h,
	common/typedef.h, common/utility.h, common/v3d.h,
	graphics/camera.h, graphics/color.h, graphics/docview.cpp,
	graphics/docview.h, graphics/mm1docv.cpp, graphics/mm1docv.h,
	graphics/mm1rbn.cpp, graphics/mm1rbn.h, graphics/mtools.cpp,
	graphics/mtools.h, graphics/objects.cpp, graphics/objects.h,
	graphics/plane.cpp, graphics/plane.h, graphics/qm1docv.cpp,
	graphics/qm1docv.h, graphics/qm2docv.cpp, graphics/qm2docv.h,
	graphics/spline.cpp, graphics/spline.h, graphics/surface.cpp,
	graphics/surface.h, graphics/views.cpp, graphics/views.h,
	target1/config.h.OLD, target1/t1main.cpp, target1/t1main.h,
	target2/config.h.OLD, target2/t2docv.cpp, target2/t2docv.h,
	target2/t2main.cpp, target2/t2main.h, target2/t2mm1docv.cpp,
	target2/t2mm1docv.h, target2/t2qm1docv.cpp, target2/t2qm1docv.h,
	target2/t2qm2docv.cpp, target2/t2qm2docv.h, target2/t2views.cpp,
	target2/t2views.h, target3/config.h.OLD,
	target3/glade_callbacks.cpp, target3/glade_interface.cpp,
	target3/t3dialog.cpp, target3/t3dialog.h, target3/t3docv.cpp,
	target3/t3docv.h, target3/t3errutil.cpp, target3/t3errutil.h,
	target3/t3main.cpp, target3/t3main.h, target3/t3mm1docv.cpp,
	target3/t3mm1docv.h, target3/t3qm1docv.cpp, target3/t3qm1docv.h,
	target3/t3qm2docv.cpp, target3/t3qm2docv.h, target3/t3views.cpp,
	target3/t3views.h: all documentation is now in DOC++ form, it's a
	bit sparse, but usable.

2001-01-24 16:08  thassine

	* src/: common/qm1eng.cpp, common/qm1eng.h, common/qm1mdl.cpp,
	common/qm1mdl.h, common/qm2eng.cpp, common/qm2eng.h,
	common/qm2eng1.cpp, common/qm2eng1.h, common/qm2eng9.cpp,
	common/qm2eng9.h, common/qm2mdl.cpp, common/qm2mdl.h,
	common/typedef.h, common/utility.cpp, common/utility.h,
	common/v3d.h, graphics/camera.cpp, graphics/camera.h,
	graphics/color.h: some more documentation converted into DOC++ form

2001-01-22 09:52  thassine

	* src/: Makefile.OLD, common/conjgrad.cpp, common/conjgrad.h,
	common/define.h, common/engine.cpp, common/engine.h,
	common/errutil.cpp, common/errutil.h, common/filetrans.cpp,
	common/filetrans.h, common/matrix.h, common/mm1alg.cpp,
	common/mm1alg.h, common/mm1eng.cpp, common/mm1eng.h,
	common/mm1eng1.cpp, common/mm1eng1.h, common/mm1eng9.cpp,
	common/mm1eng9.h, common/mm1mdl.cpp, common/mm1mdl.h,
	common/mm1tab1.cpp, common/mm1tab1.h, common/mm1tab9.cpp,
	common/mm1tab9.h, common/mm1util.cpp, common/mm1util.h,
	common/model.cpp, common/model.h, common/notice.cpp,
	common/notice.h, graphics/objects.cpp, graphics/objects.h,
	target3/t3mm1docv.cpp: started to convert comments into a form
	suitable to DOC++

2001-01-20 08:19  hutchisn

	* PROJECT, src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h: [no
	log message]

2001-01-20 08:19  hutchisn

	* src/target3/: glade_callbacks.cpp, glade_callbacks.h,
	glade_interface.cpp, glade_interface.h, glade_support.cpp,
	glade/ghemical.glade, glade/src/glade_callbacks.cpp,
	glade/src/glade_callbacks.h, glade/src/glade_interface.cpp,
	glade/src/glade_interface.h, glade/src/glade_support.cpp,
	glade/src/main.cpp: Added new import/export dialogues using Glade. 
	(Still need to figure out how to update the option menu
	appropriately.)

2001-01-13 23:29  hutchisn

	* src/common/utility.cpp: Small modifications to vdW radii to be
	closer to literature (Bondi) values

2001-01-13 23:28  hutchisn

	* src/common/filetrans.cpp: Use filename for molecule title -- we
	don't currently have another way of titling.

2001-01-06 00:38  hutchisn

	* acconfig.h, configure, configure.in, src/config.h.in,
	src/target3/Makefile.in: Fix build environment

2001-01-05 17:34  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/qm2eng.h,
	common/qm2eng1.h, common/qm2eng9.cpp, common/qm2mdl.cpp,
	common/qm2mdl.h, graphics/docview.h, graphics/mm1docv.cpp,
	graphics/mm1docv.h, graphics/plane.cpp, graphics/plane.h,
	graphics/qm2docv.cpp, graphics/qm2docv.h, graphics/surface.cpp,
	graphics/surface.h, target1/Makefile.OLD, target1/t1main.cpp,
	target2/t2qm2docv.cpp, target3/glade_callbacks.cpp,
	target3/t3qm2docv.cpp: added a simple TARGET1 example, the QM setup
	dialog should also now work.

2001-01-03 19:09  thassine

	* src/: common/mm1mdl.cpp, graphics/mm1docv.cpp,
	graphics/mm1docv.h, graphics/qm2docv.cpp, graphics/qm2docv.h,
	target3/glade_callbacks.cpp, target3/glade_callbacks.h,
	target3/glade_interface.cpp, target3/glade_interface.h,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h, target3/t3qm2docv.cpp,
	target3/t3qm2docv.h, target3/glade/ghemical.glade,
	target3/glade/src/Makefile, target3/glade/src/glade_callbacks.cpp,
	target3/glade/src/glade_callbacks.h,
	target3/glade/src/glade_interface.cpp: the setup dialog should now
	work for MM.

2001-01-03 12:03  thassine

	* CHANGES, src/target3/glade_callbacks.cpp,
	src/target3/glade_interface.cpp, src/target3/glade_interface.h,
	src/target3/glade/ghemical.glade, src/target3/glade/src/Makefile,
	src/target3/glade/src/glade_callbacks.cpp,
	src/target3/glade/src/glade_callbacks.h,
	src/target3/glade/src/glade_interface.cpp,
	src/target3/glade/src/glade_interface.h,
	src/target3/glade/src/glade_support.cpp,
	src/target3/glade/src/glade_support.h,
	src/target3/glade/src/main.cpp: dialogs; read from
	glade/src/Makefile how to retain your changes in GLADE code.

2001-01-02 18:00  thassine

	* src/: common/mm1mdl.cpp, common/mm1mdl.h, common/qm2mdl.cpp,
	common/qm2mdl.h, graphics/mm1docv.cpp, graphics/mm1docv.h: some
	preliminary stuff for the setup dialogs

2001-01-02 14:42  thassine

	* INSTALL, PROJECT, src/target3/Makefile.OLD,
	src/target3/glade_callbacks.cpp, src/target3/glade_callbacks.h,
	src/target3/glade_interface.cpp, src/target3/glade_interface.h,
	src/target3/glade_support.cpp, src/target3/glade_support.h,
	src/target3/t3dialog.cpp, src/target3/glade/ghemical.glade,
	src/target3/glade/src/Makefile: started making some dialogs using
	GLADE...

2001-01-01 15:53  thassine

	* AUTHORS, INSTALL, PROJECT, src/common/Makefile.OLD,
	src/common/mm1mdl.h, src/common/qm1eng.cpp, src/common/qm1eng.h,
	src/common/qm2eng.h, src/common/qm2eng1.h, src/common/qm2mdl.h,
	src/graphics/Makefile.OLD, src/target1/Makefile.OLD,
	src/target2/Makefile.OLD, src/target3/Makefile.OLD: just some
	cleanups and some improvements to documentation

2001-01-01 13:30  thassine

	* small-utilities/: Makefile, getpdb_cd.cpp, getpdb_ftp.cpp,
	gp2mpqc.cpp: HAPPY NEW YEAR; some small-utilities added...

2000-12-27 15:59  thassine

	* src/: graphics/camera.cpp, graphics/docview.cpp,
	graphics/docview.h, graphics/mm1docv.cpp, graphics/views.h,
	target2/t2docv.cpp, target2/t2docv.h, target2/t2main.cpp,
	target2/t2mm1docv.cpp, target2/t2mm1docv.h, target2/t2qm1docv.cpp,
	target2/t2qm1docv.h, target2/t2qm2docv.cpp, target2/t2qm2docv.h,
	target2/t2views.cpp, target2/t2views.h, target3/t3docv.cpp,
	target3/t3docv.h, target3/t3main.cpp, target3/t3main.h,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h, target3/t3qm1docv.cpp,
	target3/t3qm1docv.h, target3/t3qm2docv.cpp, target3/t3qm2docv.h,
	target3/t3views.cpp, target3/t3views.h: some cleanups; status bars
	now work in the GNOME version

2000-12-22 17:09  thassine

	* src/target3/: t3docv.cpp, t3docv.h: added some missing files...

2000-12-22 16:47  thassine

	* CHANGES, src/graphics/camera.cpp, src/graphics/docview.cpp,
	src/graphics/docview.h, src/graphics/mm1docv.cpp,
	src/graphics/mm1docv.h, src/graphics/mtools.cpp,
	src/graphics/qm1docv.h, src/graphics/qm2docv.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/target2/Makefile.OLD, src/target2/t2docv.cpp,
	src/target2/t2docv.h, src/target2/t2mm1docv.cpp,
	src/target2/t2mm1docv.h, src/target2/t2qm1docv.cpp,
	src/target2/t2qm1docv.h, src/target2/t2qm2docv.cpp,
	src/target2/t2qm2docv.h, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target3/Makefile.OLD,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h,
	src/target3/t3qm2docv.cpp, src/target3/t3qm2docv.h,
	src/target3/t3views.cpp, src/target3/t3views.h: added
	target-dependent middle classes for docviews and views; simplifies
	the base-classes a bit

2000-12-22 13:34  thassine

	* BUGLIST, src/graphics/docview.cpp, src/target3/t3main.cpp,
	src/target3/t3main.h, src/target3/t3mm1docv.cpp,
	src/target3/t3qm2docv.cpp, src/target3/t3views.cpp: treelist works
	now pretty well (see BUGLIST for some details)

2000-12-21 19:16  thassine

	* src/: graphics/docview.cpp, graphics/docview.h,
	target3/t3main.cpp, target3/t3main.h, target3/t3mm1docv.cpp,
	target3/t3qm2docv.cpp, target3/t3views.cpp, target3/t3views.h:
	improved proper model closing/cleanup in GNOME version, but still
	problems (try File/Close and File/Exit)

2000-12-21 15:19  thassine

	* src/: graphics/docview.cpp, graphics/docview.h, graphics/views.h,
	target3/t3views.cpp, target3/t3views.h: treelist (now actually
	works) - added subtrees and lights

2000-12-20 17:01  thassine

	* src/: graphics/docview.cpp, graphics/views.h, target3/t3main.h,
	target3/t3views.cpp, target3/t3views.h: treelist - now shows
	objects (planes etc), and selection is possible

2000-12-19 18:57  thassine

	* CHANGES, src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/target2/t2main.cpp, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target3/t3main.cpp,
	src/target3/t3main.h, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h, src/target3/t3qm2docv.cpp,
	src/target3/t3views.cpp, src/target3/t3views.h: added framework for
	tree/list views, and smaller changes

2000-12-19 14:45  thassine

	* src/: common/notice.cpp, graphics/docview.h, target3/t3main.cpp,
	target3/t3main.h, target3/t3mm1docv.cpp, target3/t3qm2docv.cpp,
	target3/t3views.cpp: the toolbar buttons work again as toggle
	buttons

2000-12-18 17:24  thassine

	* src/: common/filetrans.cpp, target3/t3main.cpp: changes for old
	makefiles, and a statusbar added (which is empty so far)

2000-12-08 19:22  hutchisn

	* src/: common/filetrans.cpp, common/filetrans.h,
	target3/t3mm1docv.cpp: Use new OEFileFormat code to check if
	formats are valid.

2000-12-08 18:41  thassine

	* src/: common/filetrans.cpp, graphics/camera.cpp,
	graphics/docview.cpp, graphics/docview.h, graphics/mm1docv.cpp,
	graphics/mtools.cpp, graphics/qm2docv.cpp, target2/t2mm1docv.cpp,
	target2/t2qm2docv.cpp, target2/t2views.cpp, target3/t3main.cpp,
	target3/t3main.h, target3/t3mm1docv.cpp, target3/t3qm2docv.cpp,
	target3/t3views.cpp: various fixes (like exit-command) - oelib?

2000-12-02 02:29  hutchisn

	* src/target3/t3mm1docv.cpp: OKEvent should return true for now.

2000-12-02 02:28  hutchisn

	* src/target3/: t3dialog.cpp, t3dialog.h, t3mm1docv.cpp,
	t3mm1docv.h, t3qm2docv.cpp, t3qm2docv.h: OKEvent should return bool
	in case there's a problem (e.g. file doesn't exist, save might
	overwrite a file, format is not supported, etc.)

2000-12-02 02:27  hutchisn

	* src/common/Makefile.in: One more bug fix--really get the logic in
	initialization correct!

2000-12-01 23:49  hutchisn

	* Makefile.in, configure, configure.in, src/common/Makefile.in,
	src/common/filetrans.cpp: Update OELib to use GHEMICAL_DIR
	environment variable or specified directories installed by "make
	install" target.

2000-12-01 15:27  thassine

	* src/: common/Makefile.OLD, target1/Makefile.OLD,
	target2/Makefile.OLD, target3/Makefile.OLD: updated the old
	makefiles...

2000-12-01 02:13  hutchisn

	* src/: common/Makefile.in, common/define.h, common/filetrans.cpp,
	common/filetrans.h, common/model.cpp, graphics/Makefile.in,
	target3/Makefile.in, target3/t3main.cpp, target3/t3mm1docv.cpp: add
	support for import/export methods using oelib

2000-11-30 14:18  thassine

	* src/: common/Makefile.OLD, common/qm2mdl.h,
	graphics/Makefile.OLD, graphics/mm1docv.h, target3/t3main.cpp,
	target3/t3main.h, target3/t3mm1docv.cpp, target3/t3mm1docv.h,
	target3/t3qm2docv.cpp, target3/t3qm2docv.h: GNOME erase-tool fixed,
	STATICpopupmenu removed, all popup-items enabled again

2000-11-29 19:18  thassine

	* src/: graphics/docview.h, graphics/views.h,
	target3/t3mm1docv.cpp, target3/t3mm1docv.h, target3/t3qm1docv.cpp,
	target3/t3qm1docv.h, target3/t3qm2docv.cpp, target3/t3qm2docv.h,
	target3/t3views.cpp, target3/t3views.h: GNOME popup menu callbacks
	finished - but some items are still disabled

2000-11-29 16:43  thassine

	* src/target3/: t3mm1docv.cpp, t3qm2docv.cpp, t3views.cpp,
	t3views.h: popup-menu callbacks changed (for model-independent
	items)

2000-11-29 15:10  thassine

	* src/: common/model.cpp, common/model.h, graphics/views.cpp,
	graphics/views.h, target2/t2views.cpp, target2/t2views.h,
	target3/t3main.cpp, target3/t3views.cpp, target3/t3views.h: OpenGL
	initialization in GNOME fixed (so that we have colors back).

2000-11-28 19:43  hutchisn

	* src/target3/: t3mm1docv.cpp, t3mm1docv.h, t3views.cpp: Add
	import/export menu items, center command and move things to "build"
	submenu.

2000-11-28 19:42  hutchisn

	* src/target3/t3main.cpp: Can't pass VERSION since it's a double.
	Run it through sprintf first.

2000-11-28 19:40  hutchisn

	* acconfig.h, configure, configure.in, src/config.h.in,
	src/graphics/Makefile.in: Fix build environment to define
	appropriate flags, etc.

2000-11-28 17:41  thassine

	* CHANGES, src/common/conjgrad.h, src/common/errutil.h,
	src/common/mm1alg.h, src/common/mm1eng.h, src/common/mm1eng1.h,
	src/common/mm1mdl.h, src/common/mm1util.h, src/common/model.h,
	src/common/qm2eng.h, src/common/qm2eng9.h, src/common/qm2mdl.h,
	src/common/v3d.h, src/graphics/mtools.h, src/graphics/views.h,
	src/target2/t2mm1docv.cpp, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target3/t3main.h,
	src/target3/t3qm2docv.cpp, src/target3/t3views.cpp,
	src/target3/t3views.h: some cleanups : public data changed
	protected in many classes

2000-11-28 14:18  thassine

	* CHANGES, src/common/define.h, src/graphics/Makefile.OLD,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/views.h, src/target2/t2views.cpp,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1docv.cpp, src/target3/t3views.cpp,
	src/target3/t3views.h: any things broken/mixed up, but we have a
	standard GNOME MDI app now

2000-11-27 18:50  hutchisn

	* src/target3/: t3dialog.cpp, t3dialog.h: Modify dialog to show
	which element is currently selected.

2000-11-27 18:48  hutchisn

	* src/common/: filetrans.cpp, filetrans.h, mm1mdl.cpp, mm1mdl.h:
	Remove import functions from mm1mdl and use new filetrans code
	through OELib.

2000-11-27 18:47  hutchisn

	* Makefile.in, acconfig.h, configure, configure.in,
	src/config.h.in, src/common/Makefile.in, src/graphics/Makefile.in,
	src/target3/Makefile.in: Add changes to support linking in OELib
	and slightly cleaned up build system.

2000-11-27 10:51  thassine

	* configure, configure.in, src/common/Makefile.in,
	src/graphics/Makefile.in, src/target3/Makefile.in: Makefile.in
	-files updated (configure still broken)

2000-11-26 15:05  thassine

	* CHANGES, src/graphics/camera.cpp, src/graphics/camera.h,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/mm1docv.cpp, src/graphics/mm1docv.h,
	src/graphics/mm1rbn.cpp, src/graphics/mm1rbn.h,
	src/graphics/mtools.cpp, src/graphics/mtools.h,
	src/graphics/objects.cpp, src/graphics/objects.h,
	src/graphics/plane.cpp, src/graphics/plane.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/graphics/qm2docv.cpp, src/graphics/qm2docv.h,
	src/graphics/surface.cpp, src/graphics/surface.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/target2/config.h.OLD, src/target2/t2mm1docv.cpp,
	src/target2/t2qm1docv.cpp, src/target2/t2qm2docv.cpp,
	src/target2/t2views.cpp, src/target3/config.h.OLD,
	src/target3/t3mm1docv.cpp, src/target3/t3qm1docv.cpp,
	src/target3/t3qm2docv.cpp, src/target3/t3views.cpp: 3rd stage of
	doc/view changes

2000-11-24 15:36  thassine

	* CHANGES, src/graphics/camera.cpp, src/graphics/camera.h,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/mm1docv.cpp, src/graphics/mm1docv.h,
	src/graphics/mm1rbn.cpp, src/graphics/mm1rbn.h,
	src/graphics/mtools.cpp, src/graphics/mtools.h,
	src/graphics/plane.cpp, src/graphics/plane.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/graphics/qm2docv.cpp, src/graphics/qm2docv.h,
	src/graphics/surface.cpp, src/graphics/surface.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/target2/t2main.cpp, src/target2/t2mm1docv.cpp,
	src/target2/t2mm1docv.h, src/target2/t2qm1docv.cpp,
	src/target2/t2qm1docv.h, src/target2/t2qm2docv.cpp,
	src/target2/t2qm2docv.h, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target3/t3main.cpp,
	src/target3/t3mm1docv.cpp, src/target3/t3mm1docv.h,
	src/target3/t3qm1docv.cpp, src/target3/t3qm1docv.h,
	src/target3/t3qm2docv.cpp, src/target3/t3qm2docv.h,
	src/target3/t3views.cpp, src/target3/t3views.h: 2nd stage of
	doc/view reorganization

2000-11-23 17:07  thassine

	* CHANGES, src/common/Makefile.OLD, src/common/conjgrad.h,
	src/common/engbase.cpp, src/common/engbase.h,
	src/common/engine.cpp, src/common/engine.h, src/common/mdlbase.cpp,
	src/common/mdlbase.h, src/common/mm1eng.cpp, src/common/mm1eng.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/mm1tab1.cpp,
	src/common/mm1tab9.cpp, src/common/mm1util.cpp,
	src/common/model.cpp, src/common/model.h, src/common/qm1eng.cpp,
	src/common/qm1eng.h, src/common/qm1mdl.cpp, src/common/qm1mdl.h,
	src/common/qm2eng.cpp, src/common/qm2eng.h, src/common/qm2mdl.cpp,
	src/common/qm2mdl.h, src/graphics/Makefile.OLD,
	src/graphics/camera.cpp, src/graphics/camera.h,
	src/graphics/docview.cpp, src/graphics/docview.h,
	src/graphics/guibase.cpp, src/graphics/guibase.h,
	src/graphics/mm1docv.cpp, src/graphics/mm1docv.h,
	src/graphics/mm1gui.cpp, src/graphics/mm1gui.h,
	src/graphics/mm1rbn.cpp, src/graphics/mm1rbn.h,
	src/graphics/mtools.cpp, src/graphics/mtools.h,
	src/graphics/objects.cpp, src/graphics/objects.h,
	src/graphics/plane.cpp, src/graphics/plane.h,
	src/graphics/qm1docv.cpp, src/graphics/qm1docv.h,
	src/graphics/qm1gui.cpp, src/graphics/qm1gui.h,
	src/graphics/qm2docv.cpp, src/graphics/qm2docv.h,
	src/graphics/qm2gui.cpp, src/graphics/qm2gui.h,
	src/graphics/surface.cpp, src/graphics/surface.h,
	src/graphics/viewing.cpp, src/graphics/viewing.h,
	src/graphics/views.cpp, src/graphics/views.h,
	src/graphics/window.cpp, src/graphics/window.h,
	src/target1/Makefile.OLD, src/target2/Makefile.OLD,
	src/target2/t2main.h, src/target2/t2mm1docv.cpp,
	src/target2/t2mm1docv.h, src/target2/t2mm1gui.cpp,
	src/target2/t2mm1gui.h, src/target2/t2qm1docv.cpp,
	src/target2/t2qm1docv.h, src/target2/t2qm1gui.cpp,
	src/target2/t2qm1gui.h, src/target2/t2qm2docv.cpp,
	src/target2/t2qm2docv.h, src/target2/t2qm2gui.cpp,
	src/target2/t2qm2gui.h, src/target2/t2views.cpp,
	src/target2/t2views.h, src/target2/t2window.cpp,
	src/target2/t2window.h, src/target3/Makefile.OLD,
	src/target3/t3main.h, src/target3/t3mm1docv.cpp,
	src/target3/t3mm1docv.h, src/target3/t3mm1gui.cpp,
	src/target3/t3mm1gui.h, src/target3/t3qm1docv.cpp,
	src/target3/t3qm1docv.h, src/target3/t3qm1gui.cpp,
	src/target3/t3qm1gui.h, src/target3/t3qm2docv.cpp,
	src/target3/t3qm2docv.h, src/target3/t3qm2gui.cpp,
	src/target3/t3qm2gui.h, src/target3/t3views.cpp,
	src/target3/t3views.h, src/target3/t3window.cpp,
	src/target3/t3window.h: 1st round of doc/view changes (will break
	the configure-script)

2000-11-20 12:18  thassine

	* src/: common/qm2mdl.cpp, graphics/guibase.h, graphics/mm1gui.cpp,
	graphics/mm1gui.h, graphics/mm1rbn.cpp, graphics/qm2gui.cpp,
	graphics/qm2gui.h: fixed QM import bug + some potential graphics
	bugs

2000-11-16 17:06  hutchisn

	* Makefile.in: Removed configure target--something is strange with
	the timestamps.

2000-11-16 13:55  thassine

	* src/: common/Makefile.OLD, common/errorutil.cpp,
	common/errorutil.h, common/errutil.cpp, common/errutil.h,
	common/mdlbase.cpp, common/mdlbase.h, common/mm1mdl.cpp,
	common/mm1mdl.h, common/qm1mdl.cpp, common/qm1mdl.h,
	common/qm2mdl.cpp, common/qm2mdl.h, graphics/Makefile.OLD,
	graphics/guibase.cpp, graphics/guibase.h, graphics/mm1gui.cpp,
	graphics/mm1gui.h, graphics/qm1gui.cpp, graphics/qm1gui.h,
	graphics/qm2gui.cpp, graphics/qm2gui.h, target2/Makefile.OLD,
	target2/t2main.cpp, target2/t2mm1gui.cpp, target2/t2mm1gui.h,
	target2/t2qm1gui.cpp, target2/t2qm1gui.h, target2/t2qm2gui.cpp,
	target2/t2qm2gui.h, target2/t2window.cpp, target3/Makefile.OLD,
	target3/t3errorutil.cpp, target3/t3errorutil.h,
	target3/t3errutil.cpp, target3/t3errutil.h, target3/t3main.cpp,
	target3/t3mm1gui.cpp, target3/t3mm1gui.h, target3/t3qm1gui.cpp,
	target3/t3qm1gui.h, target3/t3qm2gui.cpp, target3/t3qm2gui.h,
	target3/t3window.cpp: added err_util for all models

2000-11-15 17:01  hutchisn

	* src/: common/Makefile.in, common/errorutil.cpp,
	common/errorutil.h, target3/Makefile.in, target3/t3errorutil.cpp,
	target3/t3errorutil.h: Add error-handling classes with support for
	GNOME.

2000-11-14 23:32  hutchisn

	* src/target3/: t3mm1gui.cpp, t3mm1gui.h, t3window.cpp: Added menu
	items and user-visible feedback for menu choices.

2000-11-14 23:23  hutchisn

	* Makefile.in, configure.in: Add makefile targets to ensure
	configure script and Makefiles are updated properly.  Also add
	AC_PREREQ to configure.in to ensure configure script isn't updated
	by an old version of autoconf.

2000-11-10 21:56  hutchisn

	* src/target3/: t3mm1gui.cpp, t3mm1gui.h, t3window.cpp: Remove menu
	items for import HIN and PDB files (soon to be done through OELib)
	Add menu items and support for render labels and coloring and quick
	update mode.

2000-11-10 18:48  hutchisn

	* bin/examples/: 2-chlorobutane.gpMM, 3-phenylpropanal.gpMM,
	acetylsalicylic_acid.gpMM, alpha-pinene.gpMM, bromobenzene.gpMM,
	camphor.gpMM, cinnamaldehyde.gpMM, cis-2-pentene.gpMM,
	cyclohexane.gpMM, naphtalene.gpMM: Update examples to new file
	format (read in and re-saved).

2000-11-10 14:46  thassine

	* CHANGES, src/common/mdlbase.h, src/common/mm1mdl.cpp,
	src/common/mm1mdl.h, src/common/mm1util.cpp, src/common/qm1mdl.h,
	src/common/qm2mdl.h: 1st round of mm1_mdl file format revision

2000-11-09 14:42  thassine

	* BUGLIST, CHANGES, src/Makefile.OLD, src/common/typedef.h,
	src/common/utility.cpp, src/graphics/color.h,
	src/graphics/guibase.cpp, src/graphics/guibase.h,
	src/graphics/mm1gui.cpp, src/graphics/mm1rbn.h,
	src/graphics/objects.cpp, src/graphics/objects.h,
	src/graphics/plane.cpp, src/graphics/plane.h,
	src/graphics/qm1gui.cpp, src/graphics/qm2gui.cpp,
	src/graphics/surface.cpp, src/graphics/surface.h,
	src/graphics/viewing.cpp, src/graphics/viewing.h,
	src/target2/t2mm1gui.cpp, src/target2/t2qm2gui.cpp,
	src/target3/t3mm1gui.cpp, src/target3/t3mm1gui.h,
	src/target3/t3qm2gui.cpp, src/target3/t3window.cpp: graphics
	improvements, volume rendering added

2000-11-08 23:30  hutchisn

	* src/common/: utility.cpp, utility.h: Add back correct symbol for
	element 110. This may cause problems with atom type rules, but how
	many rules involve element 110 anyway?

2000-11-07 22:00  hutchisn

	* src/target3/t3dialog.cpp: Add feedback for currently selected
	bondtype and element in dialogues.

2000-11-07 21:59  hutchisn

	* src/target3/: t3mm1gui.cpp, t3qm2gui.cpp: Temporarily fix bug for
	open file filters--don't supply a filter until GTK is fixed.

2000-11-02 16:34  thassine

	* src/: common/define.h, target3/t3main.cpp: fixed those
	about-dialog crashes...

2000-11-01 14:43  thassine

	* CHANGES, src/common/define.h, src/common/mdlbase.cpp,
	src/common/mdlbase.h, src/common/mm1mdl.cpp,
	src/common/mm1tab1.cpp, src/common/mm1tab9.cpp,
	src/common/mm1util.cpp, src/target3/Makefile.OLD: added
	primary/secondary paths for parameter files

2000-11-01 00:37  hutchisn

	* src/: common/utility.cpp, graphics/mm1gui.cpp: Enter real vdW
	radii from several sources and update GUI to draw accordingly

2000-11-01 00:34  hutchisn

	* src/target3/t3dialog.cpp: Fixed bug with elements beyond #105.

2000-10-31 19:55  hutchisn

	* configure, configure.in: Another attempt to pick up Xmu and glut
	appropirately.

2000-10-31 10:17  thassine

	* src/Makefile.OLD: revieved the /src/Makefile.OLD

2000-10-30 18:41  hutchisn

	* configure, configure.in, src/Makefile.OLD,
	src/target3/Makefile.in: Bugfixes for the autoconf changes--should
	now work on systems needing -Xmu.

2000-10-30 17:10  thassine

	* src/Makefile.OLD: added yet another Makefile.OLD

2000-10-30 15:50  hutchisn

	* INSTALL, Makefile.in, acconfig.h, aclocal.m4, configure,
	configure.in, install-sh, mkinstalldirs, src/Makefile,
	src/config.h.in, src/common/Makefile.in, src/common/define.h,
	src/graphics/Makefile.in, src/target3/Makefile.in,
	src/target3/t3main.cpp: Changes to move to an autoconf-derived
	configure script.

2000-10-25 12:06  thassine

	* src/common/: conjgrad.cpp, utility.cpp: added some missing header
	files

2000-10-25 11:45  thassine

	* CHANGES, src/common/conjgrad.cpp, src/common/utility.cpp,
	src/target3/t3main.cpp, src/target3/t3mm1gui.cpp,
	src/target3/t3qm2gui.cpp: better GnomeUIInfo initialization (the
	RH7-patch from GH)

2000-10-25 10:47  thassine

	* CHANGES, src/graphics/guibase.cpp, src/graphics/mm1gui.cpp: the
	multiple view management bug fixed (at last)

2000-10-25 03:03  hutchisn

	* src/: common/conjgrad.cpp, common/utility.cpp,
	target3/t3main.cpp, target3/t3mm1gui.cpp, target3/t3qm2gui.cpp:
	Minor changes to allow compilation on RH7.

2000-10-25 03:02  hutchisn

	* bin/.cvsignore, src/.cvsignore, src/common/.cvsignore,
	src/graphics/.cvsignore, src/target2/.cvsignore,
	src/target3/.cvsignore: CVS ignore files to remove common build
	objects, etc.

2000-10-24 12:28  thassine

	* src/: graphics/mm1gui.cpp, graphics/mm1gui.h,
	target2/t2mm1gui.cpp, target3/t3mm1gui.cpp: cleaned some graphics
	code

2000-10-23 17:20  thassine

	* src/: new.cpp, new.h, some-extra-files/newfile.cpp,
	some-extra-files/newfile.h: moved some conflicting files to
	some-extra-files

2000-10-23 11:59  thassine

	* CHANGES, src/common/mm1mdl.cpp, src/common/mm1mdl.h,
	src/common/mm1util.cpp, src/common/mm1util.h,
	src/graphics/mm1rbn.cpp: improved mm1_chn_info

2000-10-21 13:14  thassine

	* src/common/: Makefile, color.h, config.h, guibase.cpp, guibase.h,
	mm1gui.cpp, mm1gui.h, mm1rbn.cpp, mm1rbn.h, mtools.cpp, mtools.h,
	objects.cpp, objects.h, plane.cpp, plane.h, qm1gui.cpp, qm1gui.h,
	qm2gui.cpp, qm2gui.h, spline.cpp, spline.h, surface.cpp, surface.h,
	viewing.cpp, viewing.h, window.cpp, window.h: removed some
	duplicate files

2000-10-21 12:42  thassine

	* CHANGES, src/Makefile, src/common/Makefile.OLD,
	src/common/conjgrad.cpp, src/common/conjgrad.h,
	src/common/define.h, src/common/engbase.cpp, src/common/engbase.h,
	src/common/mdlbase.cpp, src/common/mdlbase.h,
	src/common/mm1alg.cpp, src/common/mm1alg.h, src/common/mm1eng.cpp,
	src/common/mm1eng.h, src/common/mm1eng1.cpp, src/common/mm1eng1.h,
	src/common/mm1eng9.cpp, src/common/mm1eng9.h,
	src/common/mm1mdl.cpp, src/common/mm1mdl.h, src/common/mm1tab1.cpp,
	src/common/mm1tab1.h, src/common/mm1tab9.cpp, src/common/mm1tab9.h,
	src/common/mm1util.cpp, src/common/mm1util.h,
	src/common/qm1eng.cpp, src/common/qm1eng.h, src/common/qm1mdl.cpp,
	src/common/qm1mdl.h, src/common/qm2eng.cpp, src/common/qm2eng.h,
	src/common/qm2eng1.cpp, src/common/qm2eng1.h,
	src/common/qm2eng9.cpp, src/common/qm2eng9.h,
	src/common/qm2mdl.cpp, src/common/qm2mdl.h, src/common/typedef.h,
	src/common/utility.cpp, src/common/utility.h, src/common/v3d.h,
	src/graphics/Makefile.OLD, src/graphics/color.h,
	src/graphics/guibase.cpp, src/graphics/guibase.h,
	src/graphics/mm1gui.cpp, src/graphics/mm1gui.h,
	src/graphics/mm1rbn.cpp, src/graphics/mm1rbn.h,
	src/graphics/mtools.cpp, src/graphics/mtools.h,
	src/graphics/objects.cpp, src/graphics/objects.h,
	src/graphics/plane.cpp, src/graphics/plane.h,
	src/graphics/qm1gui.cpp, src/graphics/qm1gui.h,
	src/graphics/qm2gui.cpp, src/graphics/qm2gui.h,
	src/graphics/spline.cpp, src/graphics/spline.h,
	src/graphics/surface.cpp, src/graphics/surface.h,
	src/graphics/viewing.cpp, src/graphics/viewing.h,
	src/graphics/window.cpp, src/graphics/window.h,
	src/target1/Makefile, src/target1/Makefile.OLD,
	src/target1/config.h, src/target1/config.h.OLD,
	src/target2/Makefile, src/target2/Makefile.OLD,
	src/target2/config.h, src/target2/config.h.OLD,
	src/target3/Makefile, src/target3/Makefile.OLD,
	src/target3/config.h, src/target3/config.h.OLD: new source tree
	with old makefiles

2000-10-21 11:16  thassine

	* CHANGES, src/common/guibase.cpp, src/common/guibase.h,
	src/common/viewing.cpp, src/target3/t3dialog.cpp,
	src/target3/t3dialog.h, src/target3/t3mm1gui.cpp,
	src/target3/t3mm1gui.h, src/target3/t3qm2gui.cpp,
	src/target3/t3qm2gui.h, src/target3/t3window.cpp: file save dialogs
	added, selection bug fixed

2000-10-18 17:13  thassine

	* CHANGES, bin/examples/2-chlorobutane.gpMM,
	bin/examples/2-chlorobutane.mm1gp,
	bin/examples/3-phenylpropanal.gpMM,
	bin/examples/3-phenylpropanal.mm1gp,
	bin/examples/acetylsalicylic_acid.gpMM,
	bin/examples/acetylsalicylic_acid.mm1gp,
	bin/examples/alpha-pinene.gpMM, bin/examples/alpha-pinene.mm1gp,
	bin/examples/bromobenzene.gpMM, bin/examples/bromobenzene.mm1gp,
	bin/examples/camphor.gpMM, bin/examples/camphor.mm1gp,
	bin/examples/cinnamaldehyde.gpMM,
	bin/examples/cinnamaldehyde.mm1gp, bin/examples/cis-2-pentene.gpMM,
	bin/examples/cis-2-pentene.mm1gp, bin/examples/cyclohexane.gpMM,
	bin/examples/cyclohexane.mm1gp, bin/examples/naphtalene.gpMM,
	bin/examples/naphtalene.mm1gp, src/common/guibase.cpp,
	src/common/guibase.h, src/common/mm1gui.cpp, src/common/mm1gui.h,
	src/common/qm1gui.cpp, src/common/qm1gui.h, src/common/qm2gui.cpp,
	src/common/qm2gui.h, src/target2/t2main.cpp,
	src/target3/t3dialog.cpp, src/target3/t3dialog.h,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1gui.cpp, src/target3/t3mm1gui.h,
	src/target3/t3qm2gui.cpp, src/target3/t3qm2gui.h,
	src/target3/t3window.cpp, src/target3/t3window.h: added file
	dialogs for GNOME version, changed examples

2000-10-16 10:07  thassine

	* src/common/config.h: merged the patches from GH

2000-09-09 17:49  thassine

	* CHANGES, src/common/config.h, src/target1/Makefile: just a few
	minor changes

2000-09-09 15:17  thassine

	* BUGLIST, CHANGES, INSTALL, PROJECT, src/new.h,
	src/common/Makefile, src/common/qm2gui.cpp, src/target2/Makefile,
	src/target3/Makefile, src/target3/t3main.cpp,
	src/target3/t3mm1gui.cpp, src/target3/t3qm2gui.cpp,
	src/target3/t3qm2gui.h, src/target3/t3window.cpp: improvements in
	gt3. this is released as 0.2.2

2000-09-06 12:02  thassine

	* src/Makefile: made some changes in makefiles

2000-09-06 11:38  thassine

	* AUTHORS, BUGLIST, CHANGES, COPYING, INSTALL, PROJECT,
	bin/examples/2-chlorobutane.mm1gp,
	bin/examples/3-phenylpropanal.mm1gp,
	bin/examples/acetylsalicylic_acid.mm1gp,
	bin/examples/alpha-pinene.mm1gp, bin/examples/bromobenzene.mm1gp,
	bin/examples/camphor.mm1gp, bin/examples/cinnamaldehyde.mm1gp,
	bin/examples/cis-2-pentene.mm1gp, bin/examples/cyclohexane.mm1gp,
	bin/examples/naphtalene.mm1gp, bin/parameters/builder/amino.txt,
	bin/parameters/builder/nucleic.txt,
	bin/parameters/mm1param/stable/atomtypes.txt,
	bin/parameters/mm1param/stable/parameters1.txt,
	bin/parameters/mm1param/stable/parameters2.txt,
	bin/parameters/mm1param/stable/parameters3.txt,
	bin/parameters/mm1param/stable/parameters4.txt,
	bin/parameters/mm1param/stable/parameters5.txt,
	bin/parameters/mm1param/unstable/atomtypes.txt,
	bin/parameters/mm1param/unstable/parameters1.txt,
	bin/parameters/mm1param/unstable/parameters2.txt,
	bin/parameters/mm1param/unstable/parameters3.txt,
	bin/parameters/mm1param/unstable/parameters4.txt,
	bin/parameters/mm1param/unstable/parameters5.txt, src/Makefile,
	src/new.cpp, src/new.h, src/common/Makefile, src/common/color.h,
	src/common/config.h, src/common/guibase.cpp, src/common/guibase.h,
	src/common/matrix.h, src/common/mm1gui.cpp, src/common/mm1gui.h,
	src/common/mm1rbn.cpp, src/common/mm1rbn.h, src/common/mtools.cpp,
	src/common/mtools.h, src/common/notice.cpp, src/common/notice.h,
	src/common/objects.cpp, src/common/objects.h, src/common/plane.cpp,
	src/common/plane.h, src/common/qm1gui.cpp, src/common/qm1gui.h,
	src/common/qm2gui.cpp, src/common/qm2gui.h, src/common/spline.cpp,
	src/common/spline.h, src/common/surface.cpp, src/common/surface.h,
	src/common/viewing.cpp, src/common/viewing.h,
	src/common/window.cpp, src/common/window.h, src/target1/Makefile,
	src/target1/config.h, src/target1/t1main.cpp, src/target1/t1main.h,
	src/target2/Makefile, src/target2/config.h, src/target2/t2main.cpp,
	src/target2/t2main.h, src/target2/t2mm1gui.cpp,
	src/target2/t2mm1gui.h, src/target2/t2qm1gui.cpp,
	src/target2/t2qm1gui.h, src/target2/t2qm2gui.cpp,
	src/target2/t2qm2gui.h, src/target2/t2window.cpp,
	src/target2/t2window.h, src/target3/Makefile, src/target3/config.h,
	src/target3/t3dialog.cpp, src/target3/t3dialog.h,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1gui.cpp, src/target3/t3mm1gui.h,
	src/target3/t3qm1gui.cpp, src/target3/t3qm1gui.h,
	src/target3/t3qm2gui.cpp, src/target3/t3qm2gui.h,
	src/target3/t3window.cpp, src/target3/t3window.h,
	src/target3/pixmaps/draw.xpm, src/target3/pixmaps/erase.xpm,
	src/target3/pixmaps/orb_xy.xpm, src/target3/pixmaps/orb_z.xpm,
	src/target3/pixmaps/rot_xy.xpm, src/target3/pixmaps/rot_z.xpm,
	src/target3/pixmaps/select.xpm, src/target3/pixmaps/trans_xy.xpm,
	src/target3/pixmaps/trans_z.xpm, src/target3/pixmaps/zoom.xpm:
	Initial revision

2000-09-06 11:38  thassine

	* AUTHORS, BUGLIST, CHANGES, COPYING, INSTALL, PROJECT,
	bin/examples/2-chlorobutane.mm1gp,
	bin/examples/3-phenylpropanal.mm1gp,
	bin/examples/acetylsalicylic_acid.mm1gp,
	bin/examples/alpha-pinene.mm1gp, bin/examples/bromobenzene.mm1gp,
	bin/examples/camphor.mm1gp, bin/examples/cinnamaldehyde.mm1gp,
	bin/examples/cis-2-pentene.mm1gp, bin/examples/cyclohexane.mm1gp,
	bin/examples/naphtalene.mm1gp, bin/parameters/builder/amino.txt,
	bin/parameters/builder/nucleic.txt,
	bin/parameters/mm1param/stable/atomtypes.txt,
	bin/parameters/mm1param/stable/parameters1.txt,
	bin/parameters/mm1param/stable/parameters2.txt,
	bin/parameters/mm1param/stable/parameters3.txt,
	bin/parameters/mm1param/stable/parameters4.txt,
	bin/parameters/mm1param/stable/parameters5.txt,
	bin/parameters/mm1param/unstable/atomtypes.txt,
	bin/parameters/mm1param/unstable/parameters1.txt,
	bin/parameters/mm1param/unstable/parameters2.txt,
	bin/parameters/mm1param/unstable/parameters3.txt,
	bin/parameters/mm1param/unstable/parameters4.txt,
	bin/parameters/mm1param/unstable/parameters5.txt, src/Makefile,
	src/new.cpp, src/new.h, src/common/Makefile, src/common/color.h,
	src/common/config.h, src/common/guibase.cpp, src/common/guibase.h,
	src/common/matrix.h, src/common/mm1gui.cpp, src/common/mm1gui.h,
	src/common/mm1rbn.cpp, src/common/mm1rbn.h, src/common/mtools.cpp,
	src/common/mtools.h, src/common/notice.cpp, src/common/notice.h,
	src/common/objects.cpp, src/common/objects.h, src/common/plane.cpp,
	src/common/plane.h, src/common/qm1gui.cpp, src/common/qm1gui.h,
	src/common/qm2gui.cpp, src/common/qm2gui.h, src/common/spline.cpp,
	src/common/spline.h, src/common/surface.cpp, src/common/surface.h,
	src/common/viewing.cpp, src/common/viewing.h,
	src/common/window.cpp, src/common/window.h, src/target1/Makefile,
	src/target1/config.h, src/target1/t1main.cpp, src/target1/t1main.h,
	src/target2/Makefile, src/target2/config.h, src/target2/t2main.cpp,
	src/target2/t2main.h, src/target2/t2mm1gui.cpp,
	src/target2/t2mm1gui.h, src/target2/t2qm1gui.cpp,
	src/target2/t2qm1gui.h, src/target2/t2qm2gui.cpp,
	src/target2/t2qm2gui.h, src/target2/t2window.cpp,
	src/target2/t2window.h, src/target3/Makefile, src/target3/config.h,
	src/target3/t3dialog.cpp, src/target3/t3dialog.h,
	src/target3/t3main.cpp, src/target3/t3main.h,
	src/target3/t3mm1gui.cpp, src/target3/t3mm1gui.h,
	src/target3/t3qm1gui.cpp, src/target3/t3qm1gui.h,
	src/target3/t3qm2gui.cpp, src/target3/t3qm2gui.h,
	src/target3/t3window.cpp, src/target3/t3window.h,
	src/target3/pixmaps/draw.xpm, src/target3/pixmaps/erase.xpm,
	src/target3/pixmaps/orb_xy.xpm, src/target3/pixmaps/orb_z.xpm,
	src/target3/pixmaps/rot_xy.xpm, src/target3/pixmaps/rot_z.xpm,
	src/target3/pixmaps/select.xpm, src/target3/pixmaps/trans_xy.xpm,
	src/target3/pixmaps/trans_z.xpm, src/target3/pixmaps/zoom.xpm:
	start : the initial version

