2005-07-01 13:23  thassine

	* BRANCHNAME, CHANGES, INSTALL, acinclude.m4, aclocal.m4,
	  configure, configure.ac, configure.in: final changes for a
	  release 1.02.

2005-06-30 16:04  thassine

	* Makefile.in, acconfig.h, acinclude.m4, aclocal.m4, configure,
	  configure.ac, configure.in, src/Makefile.in, src/appconfig.h.in,
	  src/filetrans.cpp, src/filetrans.h, src/gtk_graphics_view.cpp,
	  src/project.cpp, src/project.h, src/glade/Makefile.in,
	  src/glade/file_export_dialog.cpp,
	  src/glade/file_import_dialog.cpp: a lot of changes in
	  configuration scripts.

2005-06-23 16:27  thassine

	* src/: project.cpp, ribbon.cpp, glade/setup_dialog.cpp,
	  glade/setup_dialog.glade: the lib/app interface has changed
	  somewhat.

2005-06-23 16:21  thassine

	* src/: gnome_project.cpp, project.cpp: the lib/app interface is
	  changed somewhat.

2005-06-20 12:34  thassine

	* src/: gtk_project.cpp, gtk_project.h, project.cpp,
	  glade/geomopt_dialog.glade, glade/progress_dialog.cpp,
	  glade/progress_dialog.h: added progress dialogs for GO, MD,
	  random search.

2005-06-17 11:39  thassine

	* src/: gtk_project.cpp, project.cpp, project.h: bugfix added to
	  GO/MD initialization code.

2005-06-14 13:28  thassine

	* src/: gtk_dialog.cpp, gtk_project.cpp, gtk_project.h,
	  project.cpp, project.h, glade/file_export_dialog.cpp,
	  glade/file_import_dialog.cpp, glade/geomopt_dialog.cpp,
	  glade/moldyn_dialog.cpp, glade/progress_dialog.cpp,
	  glade/progress_dialog.glade, glade/progress_dialog.h,
	  glade/setup_dialog.cpp, glade/trajview_dialog.cpp: started
	  converting GO and MD into multithreaded versions ; added the
	  files that left out yesterday.

2005-06-13 13:19  thassine

	* src/: gtk_project.cpp, gtk_project.h, project.cpp, project.h,
	  glade/Makefile.in: the Random Search is now completely
	  multi-threaded.

2005-06-13 10:16  thassine

	* src/: Makefile.in, gtk_graphics_view.cpp, gtk_views.cpp,
	  main.cpp, project.cpp, project.h: added an initial framework for
	  multithreading ; switch off from the beginning of project.h if
	  needed (the ENABLE_THREADS macro).

2005-06-09 18:33  thassine

	* src/: gtk_project.cpp, gtk_project.h: now the text buffer
	  scrolling works and is smooth but does not update for example
	  when lengthy calculations ; add threading?

2005-06-09 15:47  thassine

	* src/: gtk_dialog.cpp, gtk_dialog.h, gtk_project.cpp,
	  gtk_project.h: some missing files added ; the text widget
	  scrolling problems have now a partial solution that works in most
	  cases but flickers and is slow.

2005-06-09 14:16  thassine

	* src/: fileio.cpp, project.cpp, project.h,
	  glade/file_export_dialog.cpp, glade/file_export_dialog.glade,
	  glade/file_export_dialog.h, glade/file_import_dialog.cpp,
	  glade/file_import_dialog.glade, glade/file_import_dialog.h,
	  glade/geomopt_dialog.cpp, glade/geomopt_dialog.glade,
	  glade/moldyn_dialog.cpp, glade/moldyn_dialog.glade,
	  glade/moldyn_dialog.h, glade/setup_dialog.cpp,
	  glade/setup_dialog.glade, glade/trajview_dialog.cpp: fixed the
	  glade dialogs ; the file i/o should now work with
	  openbabel-1.100.2

2005-06-08 11:49  thassine

	* src/: main.cpp, project.cpp, ribbon.cpp, views.cpp: minor fixes
	  added, now in sync with the lib.

2005-06-08 11:46  thassine

	* src/ribbon.cpp: adapted to changes in lib.

2005-05-24 15:00  thassine

	* src/: gtk_plot_views.cpp, gtk_plot_views.h, gtk_project_view.cpp,
	  gtk_project_view.h, gtk_views.h, project.cpp, project.h,
	  views.cpp, views.h: plotting view popup menus should work now ;
	  TSS broken?

2005-05-19 13:46  thassine

	* src/: gtk_graphics_view.cpp, gtk_project_view.cpp,
	  gtk_project_view.h: the project view popup menus should work now.

2005-05-17 12:11  thassine

	* src/: gtk_project_view.cpp, gtk_project_view.h: did the project
	  view a bit further.

2005-05-16 14:12  thassine

	* src/: gtk_graphics_view.cpp, gtk_graphics_view.h,
	  gtk_plot_views.cpp, gtk_plot_views.h, gtk_project_view.cpp,
	  gtk_project_view.h, gtk_views.cpp, gtk_views.h, main.cpp, main.h,
	  project.h, views.h, glade/file_export_dialog.cpp,
	  glade/file_export_dialog.h, glade/file_import_dialog.cpp,
	  glade/file_import_dialog.h, glade/setup_dialog.cpp,
	  glade/setup_dialog.h, glade/trajview_dialog.cpp,
	  glade/trajview_dialog.h: class name changes done ; gnome -> gtk

2005-05-16 12:30  thassine

	* src/: Makefile.in, gnome_dialog.cpp, gnome_dialog.h,
	  gnome_project.cpp, gnome_project.h, gtk_project_view.h,
	  gtk_views.cpp, gtk_views.h, main.h, glade/file_export_dialog.h,
	  glade/file_import_dialog.h, glade/setup_dialog.h,
	  glade/trajview_dialog.h: some changes in filenames ; converted
	  gnome -> gtk

2005-05-13 15:49  thassine

	* src/: gnome_project.cpp, gnome_project.h, gtk_graphics_view.cpp,
	  project.cpp: continued porting the popup menus in GTK2 ; the
	  graphics view menu now complete.

2005-05-12 18:22  thassine

	* src/glade/: setup_dialog.cpp, setup_dialog.glade: the new setup
	  dialog should more or less work now.

2005-05-11 18:16  thassine

	* src/glade/: setup_dialog.cpp, setup_dialog.glade, setup_dialog.h:
	  added some improvements to the setup dialog ; now works
	  initially.

2005-05-06 14:55  thassine

	* src/: gnome_project.cpp, project.cpp,
	  glade/file_import_dialog.cpp: now in synch with the library.

2005-05-06 14:39  thassine

	* src/: gnome_project.cpp, project.cpp,
	  glade/file_import_dialog.cpp: synchronized with the lib.

2005-05-03 15:57  thassine

	* src/: gnome_project.cpp, main.cpp, glade/Makefile.in,
	  glade/setup_dialog.cpp, glade/setup_dialog.glade,
	  glade/setup_dialog.h, glade/setup_druid.cpp,
	  glade/setup_druid.glade, glade/setup_druid.h: removed the setup
	  druid (gnome-1 based) and started adding a setup dialog.

2005-04-28 13:28  thassine

	* src/project.cpp: just adapt in slight changes in the lib side.

2005-04-28 13:23  thassine

	* src/project.cpp: adapt in slight changes in the lib side.

2005-04-26 11:26  thassine

	* src/: gnome_project.cpp, project.cpp: some changes in libghemical
	  ; sync.

2005-04-22 16:57  thassine

	* src/: gnome_project.cpp, project.cpp, project.h: some class names
	  changed to keep in sync with HEAD / libghemical.

2005-04-22 16:45  thassine

	* src/: appdefine.h, gnome_project.cpp, gnome_project.h,
	  gtk_graphics_view.cpp, gtk_graphics_view.h, main.cpp, main.h,
	  project.cpp, project.h: added new popup menu items ; tweaked the
	  stereo adjustment box ; bugfixes.

2005-04-21 15:46  thassine

	* aclocal.m4, configure, configure.in, src/Makefile.in,
	  src/appconfig.h.in, src/appdefine.h, src/gnome_project.cpp,
	  src/gtk_views.cpp, src/main.cpp, src/notice.cpp, src/notice.h:
	  some new stuff added ; the main menu now works except Help/Help
	  item.

2005-04-21 11:57  thassine

	* aclocal.m4, configure, configure.in, src/Makefile.in,
	  src/gnome_project.cpp, src/gnome_project.h,
	  src/gtk_graphics_view.cpp, src/gtk_graphics_view.h,
	  src/gtk_plot_views.cpp, src/gtk_plot_views.h,
	  src/gtk_project_view.cpp, src/gtk_project_view.h,
	  src/gtk_views.cpp, src/gtk_views.h, src/main.cpp, src/main.h,
	  src/project.cpp, src/project.h, src/surface.h, src/views.cpp,
	  src/views.h, src/glade/Makefile.in,
	  src/glade/file_export_dialog.cpp,
	  src/glade/file_export_dialog.glade,
	  src/glade/file_import_dialog.cpp,
	  src/glade/file_import_dialog.glade, src/glade/geomopt_dialog.cpp,
	  src/glade/moldyn_dialog.cpp, src/glade/moldyn_dialog.glade,
	  src/glade/setup_druid.cpp, src/glade/setup_druid.h: added the
	  next round of changes ; compiles and works but the menus are
	  still incomplete.

2005-04-15 16:51  thassine

	* src/: Makefile.in, appconfig.h.in, fileio.cpp, gnome_dialog.h,
	  gnome_project.cpp, gnome_views.cpp, gnome_views.h, main.cpp,
	  main.h, notice.cpp: started adding the popup menu for
	  gtk_graphics_view.

2005-04-15 14:36  thassine

	* src/: gnome_dialog.cpp, gnome_project.cpp, gnome_project.h,
	  gnome_views.cpp, gnome_views.h, main.cpp, main.h,
	  pixmaps/bondtype.xpm, pixmaps/measure.xpm, pixmaps/orb_xy.xpm,
	  pixmaps/orb_z.xpm, pixmaps/orbit_xy.xpm, pixmaps/orbit_z.xpm,
	  pixmaps/rot_xy.xpm, pixmaps/rot_z.xpm, pixmaps/rotate_xy.xpm,
	  pixmaps/rotate_z.xpm, pixmaps/setup.xpm, pixmaps/trans_xy.xpm,
	  pixmaps/trans_z.xpm, pixmaps/transl_xy.xpm, pixmaps/transl_z.xpm:
	  major changes in GUI code ; uses GtkUIManager now (GTK+-2.4) ;
	  menus still not ready yet.

2005-03-23 16:06  thassine

	* src/: gnome_dialog.cpp, gnome_dialog.h, gnome_project.cpp,
	  gnome_views.cpp, main.cpp, main.h: bad problems because the popup
	  menus still are generated using gnome-1 code in a gtk2 app ;
	  crashes but started to add fixes ; still not OK.

2005-03-21 11:37  thassine

	* Makefile.in, configure, configure.in, src/Makefile.in,
	  src/appconfig.h.in, src/glade_dialog.cpp, src/gnome_dialog.cpp,
	  src/gnome_dialog.h, src/gnome_project.cpp, src/main.cpp,
	  src/main.h, src/views.h: added many improvements ; the GTK2
	  version is now built by default (--enable-bonobo changes this)
	  and it's quite usable now...

2005-02-03 14:16  thassine

	* src/spline.cpp: minor changes to make it compile in FC3.

2005-02-03 14:13  thassine

	* src/spline.cpp: minor changes to make it compile at FC3.

2005-01-19 19:11  thassine

	* src/: gnome_project.cpp, project.cpp, project.h: minor additions
	  to keep in sync with libghemical.

2004-12-23 16:12  thassine

	* configure, configure.in, bin/ghemical-ui.xml, src/appconfig.h.in,
	  src/ghemical-server.cpp, src/ghemical-server.h, src/ghemical.cpp,
	  src/ghemical.h, src/gnome_project.cpp, src/gnome_project.h,
	  src/main.cpp, src/main.h, src/simple_test/container-ui.xml,
	  src/simple_test/container.cpp: continued to implement separate
	  gtk+/bonobo modes.

2004-12-23 13:33  thassine

	* GNOME_Ghemical.server, Makefile.in, src/Makefile.in,
	  src/gnome_project.cpp, src/gnome_project.h,
	  src/simple_test/Makefile, src/simple_test/README,
	  src/simple_test/container-ui.xml, src/simple_test/container.c,
	  src/simple_test/container.cpp, src/simple_test/container.h:
	  started creating a single ghemical/ghemical-server executable
	  that uses either gtk+ or bonobo.

2004-12-21 16:46  thassine

	* src/: camera.cpp, gnome_project.cpp, gnome_views.cpp,
	  gnome_views.h, project.cpp, project.h: fixes added for stereo
	  display modes (especially red/blue mode).

2004-12-10 17:22  thassine

	* aclocal.m4, configure, configure.in: many small fixes added.

2004-12-10 17:17  thassine

	* configure, configure.in, src/gnome_project.cpp,
	  src/gnome_project.h, src/gnome_views.cpp, src/mtools.cpp,
	  src/project.cpp, src/project.h: many small fixes added.

2004-09-06 13:51  thassine

	* configure, configure.in: configure.in updated (still needs
	  similar fixes ; see also Makefiles.

2004-08-30 12:33  thassine

	* src/: color.h, fileio.cpp, filetrans.cpp, gnome_dialog.cpp,
	  gnome_project.cpp, gnome_project.h, gnome_views.cpp, main.cpp,
	  notice.cpp, objects.cpp, objects.h, project.cpp, project.h,
	  ribbon.cpp, spline.h, views.cpp, glade/geomopt_dialog.h,
	  glade/moldyn_dialog.h, glade/setup_druid.cpp: changed the include
	  directory of libghemical.

2004-08-25 14:28  thassine

	* src/: appdefine.h, project.cpp, project.h: minor changes in
	  labels etc (not yet same as in BBB).

2004-08-25 14:24  thassine

	* src/: appdefine.h, gnome_project.cpp, gnome_project.h,
	  project.cpp, project.h: some minor changes in labels etc.

2004-05-13 14:51  thassine

	* acinclude.m4, aclocal.m4, configure, configure.in,
	  src/glade/setup_druid.cpp: libmopac7, OpenBabel and libghemical
	  now properly detected in configure.in

2004-05-13 14:51  thassine

	* acinclude.m4, aclocal.m4, configure, configure.in,
	  src/glade/setup_druid.cpp: proper detection of libmopac7,
	  OpenBabel and libghemical in configure.in

2004-03-17 16:28  thassine

	* Makefile.in, src/gnome_project.cpp: changed VERSION into
	  APPVERSION at Makefile.in

2004-03-17 16:26  thassine

	* Makefile.in: changed VERSION into APPVERSION in Makefile.in

2004-02-18 13:51  thassine

	* Makefile.in, configure, configure.in, src/Makefile.in,
	  src/appconfig.h.in, src/main.cpp, src/glade/Makefile.in: now
	  properly reads settings from libghemical.pc using pkg-config.

2004-02-17 16:49  thassine

	* Makefile.in, configure, configure.in, src/Makefile.in,
	  src/project.cpp, src/glade/Makefile.in: now uses an external
	  OpenBabel library ; make install should now properly install both
	  executables and files.

2004-02-17 16:44  thassine

	* Makefile.in, configure, configure.in, src/Makefile.in,
	  src/project.cpp, src/glade/Makefile.in: now uses an external
	  OpenBabel-1.100.2 library.

2004-02-17 16:40  thassine

	* Makefile.in, configure, configure.in: some cleanups in
	  configuration/makefiles.

2004-02-17 12:11  thassine

	* configure, configure.in: now works with OpenBabel-1.100.2 as an
	  external lib.

2004-02-15 14:44  thassine

	* Makefile.in, configure, configure.in: removed the mopac7 and
	  openbabel source directories ; these are replaced by external
	  libraries.

2004-02-11 11:40  thassine

	* src/: fileio.cpp, project.h: added setlocale() calls into
	  fileio.cpp ; also added formal charges into the file format
	  (version string now 111)

2004-02-11 11:06  thassine

	* src/: Makefile.in, gnome_project.cpp, gnome_project.h,
	  project.cpp: added -lmopac7 into src/Makefile.in (temporarily)
	  and other minor changes.

2004-01-28 11:08  thassine

	* src/Makefile.in: added -lmopac7 manually into src/Makefile LIBS
	  section since it is not yet detected by the configure script.

2004-01-28 11:00  thassine

	* src/: appdefine.h, gnome_project.cpp, gnome_project.h,
	  project.cpp: added some temporary/initial GUI elements.

2003-12-23 14:24  thassine

	* configure, configure.in: changed the version number to 1.02 after
	  a bugfix-release.

2003-12-19 12:30  thassine

	* CHANGES, configure: made minor changes for release as v1.01

2003-11-06 14:22  thassine

	* src/fileio.cpp: a minor fix in file-IO; still need to save
	  secondary structures for SF?

2003-11-06 14:09  thassine

	* src/fileio.cpp: a minor fix in file-IO; still need to save
	  secondary structures for SF?

2003-10-10 11:56  thassine

	* src/: gnome_project.cpp, gnome_views.cpp, gnome_views.h: a new
	  menu itm (experimental) was added.

2003-10-10 11:53  thassine

	* src/: gnome_project.cpp, gnome_views.cpp, gnome_views.h: added a
	  new (experimental) menu item.

2003-10-03 16:32  thassine

	* src/project.cpp: fixed a bug in drawing mouse tool.

2003-10-03 16:29  thassine

	* src/project.cpp: fixed a drawing tool bug.

2003-09-12 13:34  thassine

	* src/: gnome_project.cpp, plane.cpp, plane.h, project.cpp,
	  surface.cpp, surface.h: improved planes/surfaces ; now adapt
	  better for charged molecules.

2003-09-12 13:32  thassine

	* src/: gnome_project.cpp, plane.cpp, plane.h, project.cpp,
	  surface.cpp, surface.h: improvements in plane/surface plots; now
	  adapt better for charged molecules.

2003-09-10 15:04  thassine

	* src/: appdefine.h, gnome_project.cpp, gnome_project.h,
	  project.cpp: a rendering bug was fixed, and LABEL_RESIDUE was
	  implemented.

2003-09-10 15:02  thassine

	* src/: appdefine.h, gnome_project.cpp, gnome_project.h,
	  project.cpp: a rendering bug fixed and LABEL_RESIDUE added.

2003-09-01 12:43  thassine

	* src/project.cpp: added some bugfixes/comments

2003-09-01 12:41  thassine

	* src/project.cpp: some bugfixes/comments added

2003-08-08 09:55  thassine

	* src/: fileio.cpp, gnome_project.cpp, project.cpp, project.h: the
	  Solvate??() functions have changed.

2003-08-08 09:43  thassine

	* src/: gnome_project.cpp, project.cpp, project.h: the Solvate???()
	  functions changed.

2003-08-01 14:05  thassine

	* src/glade/: file_export_dialog.cpp, file_import_dialog.cpp,
	  geomopt_dialog.cpp, moldyn_dialog.cpp: fixed the dialogs by
	  changing gnome_dialog -> gtk_dialog.

2003-07-30 13:11  thassine

	* src/: camera.cpp, gnome_dialog.cpp, gnome_project.cpp,
	  gnome_project.h, project.cpp, project.h: a few more changes added
	  ; now the bonobo-component seems to work pretty well and is
	  usable, but the toolbar buttons (mouse tool, element, bondtype)
	  are still missing.

2003-07-29 16:48  thassine

	* src/: camera.cpp, camera.h, gnome_views.cpp, gnome_views.h,
	  objects.cpp, objects.h, plane.cpp, plane.h, project.cpp,
	  project.h, ribbon.cpp, ribbon.h, surface.cpp, surface.h,
	  views.cpp, views.h: the project_view now works reasonably well ;
	  also popup-menus added to project_view pages.

2003-07-24 13:12  thassine

	* src/: gnome_project.cpp, gnome_project.h, gnome_views.cpp,
	  gnome_views.h, project.cpp, project.h, views.h: the popup-menu,
	  text buffer, and the project view seems to work quite reasonably
	  now ; in project view only atoms and bonds pages are ok, others
	  still have many problems.

2003-07-15 15:18  thassine

	* src/: gnome_project.cpp, gnome_project.h, gnome_views.cpp,
	  gnome_views.h, project.cpp, project.h, views.cpp, views.h: the
	  message log now works (more or less) and project_view work
	  started.

2003-07-14 12:20  thassine

	* src/: gnome_dialog.cpp, gnome_project.cpp, gnome_project.h,
	  gnome_views.cpp, gnome_views.h, glade/file_export_dialog.glade,
	  glade/file_import_dialog.glade, glade/geomopt_dialog.glade,
	  glade/moldyn_dialog.glade, glade/setup_druid.glade,
	  glade/trajview_dialog.glade: the .glade files are updated for
	  libglade-2 (using libglade-convert) glade-dialogs are displayed
	  correctly but handlers still not updated ; the gnome-dialogs
	  should work also now ; added (temporary) CURRENT submenu into
	  ppoup-menu for accesssing mouse tool and other settings.

2003-07-12 12:28  thassine

	* GNOME_Ghemical.server: added the .server file
	  (bonobo-activation).

2003-07-11 16:01  thassine

	* configure, configure.in, bin/ghemical-ui.xml, src/Makefile.in,
	  src/fileio.cpp, src/filetrans.cpp, src/filetrans.h,
	  src/ghemical-server.cpp, src/ghemical-server.h, src/ghemical.cpp,
	  src/ghemical.h, src/glade_dialog.cpp, src/gnome_dialog.cpp,
	  src/gnome_project.cpp, src/gnome_project.h, src/gnome_views.cpp,
	  src/gnome_views.h, src/main.cpp, src/main.h, src/notice.cpp,
	  src/notice.h, src/plane.h, src/project.cpp, src/project.h,
	  src/ribbon.cpp, src/ribbon.h, src/surface.h, src/views.cpp,
	  src/views.h, src/glade/Makefile.in, src/glade/geomopt_dialog.cpp,
	  src/glade/moldyn_dialog.cpp, src/glade/setup_druid.cpp,
	  src/simple_test/Makefile, src/simple_test/container-ui.xml,
	  src/simple_test/container.c: started porting to gnome2 and
	  converting into bonobo.

2003-06-13 13:18  thassine

	* AUTHORS, acconfig.h, src/Doxyfile, src/camera.cpp,
	  src/gnome_project.cpp, src/project.cpp: more checks added for
	  atom_list sorting. also misc cleanups.

2003-06-12 16:12  thassine

	* bin/examples/transition_state_search/E2-reaction/products.gpr,
	  bin/examples/transition_state_search/E2-reaction/reactants.gpr,
	  bin/examples/transition_state_search/E2-reaction/ts.gpr,
	  bin/examples/transition_state_search/SN2-reaction/products.gpr,
	  bin/examples/transition_state_search/SN2-reaction/reactants.gpr,
	  bin/examples/transition_state_search/SN2-reaction/ts.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr,
	  bin/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr,
	  bin/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr,
	  bin/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr,
	  bin/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr,
	  bin/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr,
	  bin/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr,
	  bin/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr,
	  bin/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr,
	  bin/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr,
	  bin/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr,
	  src/gnome_views.cpp, src/gnome_views.h, src/project.cpp,
	  src/views.cpp, src/views.h: added imrovements to
	  transition_state_search + other search tools, and added examples
	  for TSS.

2003-06-11 14:06  thassine

	* src/: gnome_project.cpp, gnome_project.h, gnome_views.cpp,
	  gnome_views.h, project.cpp, project.h, views.cpp, views.h,
	  glade/setup_druid.cpp: added transition_state_search and
	  stationary_state_search ; user-docs and examples will follow in a
	  few days.

2003-05-19 10:09  thassine

	* src/project.cpp: some debugging-label options added.

2003-05-13 16:44  thassine

	* src/gnome_project.cpp: removed some redundant
	  DefineSecondaryStructure() runs.

2003-05-12 12:13  thassine

	* src/: project.cpp, ribbon.cpp, ribbon.h: minor changes in ribbon
	  object.

2003-04-29 13:22  thassine

	* src/: gnome_project.cpp, project.cpp, project.h, ribbon.cpp: many
	  changes in lib, adaptaptations to those added.

2003-04-17 10:37  thassine

	* src/gnome_project.cpp: added better defaults for glade dialogs.

2003-04-16 16:46  thassine

	* src/: gnome_project.cpp, gnome_views.cpp, gnome_views.h,
	  project.cpp, glade/moldyn_dialog.cpp, glade/moldyn_dialog.glade,
	  glade/moldyn_dialog.h, glade/setup_druid.cpp,
	  glade/setup_druid.glade: many small changes (including trajectory
	  reading).

2003-04-10 17:02  thassine

	* Makefile.in, configure, configure.in, src/appconfig.h.in,
	  src/appdefine.h, src/gnome_project.cpp, src/gnome_project.h,
	  src/project.cpp: changes in configure script (now tested to work
	  with --enable-mpqc).

2003-04-02 09:14  thassine

	* src/ribbon.cpp: changes in ribbon due to changes in atom class.

2003-03-07 13:37  thassine

	* src/fileio.cpp: a minor addition to fileio.cpp

2003-03-07 11:11  thassine

	* src/fileio.cpp: the functions in fileio.cpp now handle data using
	  member functions, not direclty (so that they now are more
	  portable).

2003-03-05 14:20  thassine

	* src/: gnome_project.cpp, main.cpp: added some changes related to
	  gcc-3.2

2003-02-14 16:51  thassine

	* src/fileio.cpp: just cleanups, no real changes.

2003-02-14 10:02  thassine

	* src/project.cpp: sf virtual bonds now rendered also using
	  wireframes.

2003-02-06 16:53  thassine

	* src/: gnome_project.cpp, main.cpp, notice.cpp, project.cpp: many
	  changes; for example added tool for adding solvent (not ready
	  yet).

2003-02-03 11:54  thassine

	* src/: gnome_project.cpp, gnome_project.h: added tools for
	  solvation (using H2O).

2003-01-31 14:06  thassine

	* src/: filetrans.cpp, project.cpp, project.h: some bugfixes were
	  added; mostly because of changes in model::GetAtomCount() and
	  engine::GetAtomCount().

2003-01-30 10:31  thassine

	* src/: Makefile.in, fileio.cpp, gnome_project.cpp, project.cpp,
	  project.h, glade/Makefile.in: changes in SF-stuff rendering and
	  file operations.

2003-01-27 15:45  thassine

	* src/: fileio.cpp, project.cpp, project.h, ribbon.cpp,
	  glade/setup_druid.cpp: some additions to graphics code (how the
	  new flags work).

2003-01-23 15:02  thassine

	* src/: camera.cpp, camera.h, gnome_project.cpp, gnome_views.cpp,
	  gnome_views.h, main.cpp, main.h, mtools.cpp, mtools.h,
	  project.cpp, project.h, views.cpp, views.h, pixmaps/clipping.xpm:
	  added a new clipping mtool, the selections by atm/res/chn/mol is
	  added, and a new tool delete selected atoms is added.

2003-01-22 13:25  thassine

	* Makefile.in: make install also works now.

2003-01-22 13:11  thassine

	* src/.cvsignore: minor cleanups added.

2003-01-22 13:06  thassine

	* Makefile.in, configure, configure.in, src/Makefile.in,
	  src/appconfig.h.in, src/appdefine.h, src/camera.cpp,
	  src/camera.h, src/color.h, src/config.h.in, src/fileio.cpp,
	  src/filetrans.cpp, src/filetrans.h, src/glade_dialog.cpp,
	  src/glade_dialog.h, src/gnome_dialog.cpp, src/gnome_dialog.h,
	  src/gnome_project.cpp, src/gnome_project.h, src/gnome_views.cpp,
	  src/gnome_views.h, src/main.cpp, src/main.h, src/mtools.cpp,
	  src/mtools.h, src/notice.cpp, src/notice.h, src/objects.cpp,
	  src/objects.h, src/plane.cpp, src/plane.h, src/project.cpp,
	  src/project.h, src/ribbon.cpp, src/ribbon.h, src/spline.cpp,
	  src/spline.h, src/surface.cpp, src/surface.h, src/views.cpp,
	  src/views.h, src/glade/.cvsignore, src/glade/Makefile.in,
	  src/glade/README, src/glade/file_export_dialog.cpp,
	  src/glade/file_export_dialog.glade,
	  src/glade/file_export_dialog.h, src/glade/file_import_dialog.cpp,
	  src/glade/file_import_dialog.glade,
	  src/glade/file_import_dialog.h, src/glade/geomopt_dialog.cpp,
	  src/glade/geomopt_dialog.glade, src/glade/geomopt_dialog.h,
	  src/glade/moldyn_dialog.cpp, src/glade/moldyn_dialog.glade,
	  src/glade/moldyn_dialog.h, src/glade/setup_druid.cpp,
	  src/glade/setup_druid.glade, src/glade/setup_druid.h,
	  src/glade/trajview_dialog.cpp, src/glade/trajview_dialog.glade,
	  src/glade/trajview_dialog.h, src/pixmaps/.cvsignore,
	  src/pixmaps/angle.xpm, src/pixmaps/bond.xpm,
	  src/pixmaps/chain.xpm, src/pixmaps/dihedral.xpm,
	  src/pixmaps/distance.xpm, src/pixmaps/draw.xpm,
	  src/pixmaps/element.xpm, src/pixmaps/erase.xpm,
	  src/pixmaps/invert.xpm, src/pixmaps/molecule.xpm,
	  src/pixmaps/orb_xy.xpm, src/pixmaps/orb_z.xpm,
	  src/pixmaps/residue.xpm, src/pixmaps/rot_xy.xpm,
	  src/pixmaps/rot_z.xpm, src/pixmaps/select.xpm,
	  src/pixmaps/trans_xy.xpm, src/pixmaps/trans_z.xpm,
	  src/pixmaps/zoom.xpm: added the missing files; some changes have
	  happened in the filenames.

2003-01-20 16:08  thassine

	* configure, configure.in: many changes all over the tree; does not
	  compile yet...

2003-01-20 11:13  thassine

	* Makefile.in: moved the /src/target3/glade to /src/glade.

2003-01-20 10:49  thassine

	* BUGLIST, Makefile.in, PROJECT, configure.in, src/Makefile.OLD:
	  some directories removed; this stuff is either moved into the new
	  libghemical library, or (target1/target2) is discarded.

2002-12-05 13:44  thassine

	* configure, configure.in: changed the version number to 1.51

2002-12-05 13:43  thassine

	* configure, configure.in: changed the version number to 1.01

2002-12-04 09:47  thassine

	* CHANGES: updated the changelog

2002-12-04 09:45  thassine

	* INSTALL, ghemical.spec, bin/user-docs/ribbon.html,
	  bin/user-docs/images/aa_builder_ci.png,
	  bin/user-docs/images/aa_builder_menu.png,
	  bin/user-docs/images/aa_builder_note.png,
	  bin/user-docs/images/aa_builder_w_h.png,
	  bin/user-docs/images/aa_builder_wo_h.png,
	  bin/user-docs/images/ci_plane.png,
	  bin/user-docs/images/ribbon.png: final fixes before release as
	  v1.50

2002-12-03 10:49  thassine

	* CHANGES, INSTALL, ghemical.spec: the final fixes added...

2002-12-03 09:50  thassine

	* Makefile.in: minor fixes to make install.

2002-12-03 09:44  thassine

	* Makefile.in: minor fixes to make install.

2002-12-03 09:42  thassine

	* bin/user-docs/: geometry_optimization.html, index.html,
	  introduction.html, measure.html, references.html,
	  sequence_builder.html, using_mm.html, using_qm.html,
	  using_sf.html, visualization.html,
	  images/geometry_opimization_console.png,
	  images/sequence_builder_console.png: added the improved docs from
	  Christopher also here.

2002-12-03 09:41  thassine

	* bin/user-docs/references.html: minor fixes to docs...

2002-12-03 09:30  thassine

	* bin/user-docs/: geometry_optimization.html, index.html,
	  measure.html, references.html, ribbon.html,
	  sequence_builder.html, using_mm.html, using_qm.html,
	  visualization.html, images/aa_builder_ci.png,
	  images/aa_builder_menu.png, images/aa_builder_note.png,
	  images/aa_builder_w_h.png, images/aa_builder_wo_h.png,
	  images/ci_plane.png, images/geometry_opimization_console.png,
	  images/ribbon.png, images/sequence_builder_console.png: added the
	  latest improvements to user's manual by Christopher.

2002-11-22 11:02  thassine

	* .cvsignore: synchronized openbabel with the v1.0 tree, and added
	  a notice about incompleteness of the file format.

2002-11-21 00:26  hutchisn

	* .cvsignore: Minor updates.

2002-11-20 17:54  thassine

	* bin/examples/: 2-chlorobutane.gpr, 3-phenylpropanal.gpr,
	  PeriodicTable.gpr, acetylsalicylic_acid.gpr, alpha-pinene.gpr,
	  bromobenzene.gpr, camphor.gpr, cinnamaldehyde.gpr,
	  cis-2-pentene.gpr, cyclohexane.gpr, naphtalene.gpr: added also
	  the new example files.

2002-11-20 17:53  thassine

	* bin/examples/: 1gar.mm2gp, 1hcl.mm2gp, 2-chlorobutane.mm1gp,
	  3-phenylpropanal.mm1gp, 4rhn.mm2gp, PeriodicTable.mm1gp,
	  acetylsalicylic_acid.mm1gp, alpha-pinene.mm1gp,
	  bromobenzene.mm1gp, camphor.mm1gp, cinnamaldehyde.mm1gp,
	  cis-2-pentene.mm1gp, cyclohexane.mm1gp, naphtalene.mm1gp: the
	  file format detection is now fixed; now can read the current
	  (.gpr) and old (.mm1gp) v1.0 files.

2002-11-20 17:49  thassine

	* bin/examples/: 2-chlorobutane.gpr, 3-phenylpropanal.gpr,
	  PeriodicTable.gpr, acetylsalicylic_acid.gpr, alpha-pinene.gpr,
	  bromobenzene.gpr, camphor.gpr, cinnamaldehyde.gpr,
	  cis-2-pentene.gpr, cyclohexane.gpr, naphtalene.gpr: now both MM
	  and QM projects use the same file format (.gpr) that is the same
	  as the old .mm1gp file format; this is consistent with
	  arrangements in v1.50.

2002-11-20 12:38  thassine

	* Makefile.in: make install now installs the docs correctly.

2002-11-14 15:00  thassine

	* bin/user-docs/: MD.html, MD_viewer.html, aa_table.html,
	  add_hydrogens.html, basic_mm.html, conf_search_tools.html,
	  energy_vs_torsion.html, enlevdiag.jpg, filetypes.html,
	  formula.html, geometry_optimization.html, index.html,
	  labels.html, mdi_mode.html, measure.html, perspective.html,
	  references.html, sequence_builder.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, using_mm.html,
	  using_qm.html, using_sf.html, visualization.html,
	  images/energy_vs_torsion1.png, images/energy_vs_torsion2.png,
	  images/energy_vs_torsion3.png, images/energy_vs_torsion4.png,
	  images/enlevdiag.png, images/esp-plane_mm.png,
	  images/esp-plane_qm.png, images/esp-plane_select.png,
	  images/esp-plane_select_obj.png: updated the documentation.

2002-11-14 14:50  thassine

	* bin/user-docs/: MD.html, MD_viewer.html, aa_table.html,
	  add_hydrogens.html, basic_mm.html, conf_search_tools.html,
	  energy_vs_torsion.html, enlevdiag.jpg, filetypes.html,
	  formula.html, geometry_optimization.html, index.html,
	  labels.html, mdi_mode.html, measure.html, perspective.html,
	  projects.html, references.html, sequence_builder.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,
	  using_mm.html, using_qm.html, using_sf.html, visualization.html,
	  images/energy_vs_torsion1.png, images/energy_vs_torsion2.png,
	  images/energy_vs_torsion3.png, images/energy_vs_torsion4.png,
	  images/enlevdiag.png, images/esp-plane_mm.png,
	  images/esp-plane_qm.png, images/esp-plane_select.png,
	  images/esp-plane_select_obj.png: updated the documentation.

2002-11-14 11:16  thassine

	* bin/user-docs/: basic_mm.html, index.html, introduction.html,
	  maintools.jpg, images/mainmenu.png, images/maintools.png: the
	  chapter 1. introduction seems to be ok now.

2002-11-14 11:03  thassine

	* bin/user-docs/: basic_mm.html, index.html, introduction.html,
	  maintools.jpg, references.html, images/mainmenu.png,
	  images/maintools.png: the chapter 1. introduction seems to be ok
	  now.

2002-11-14 09:59  thassine

	* bin/user-docs/: index.html: oops! fixed the absolute links from
	  index.html

2002-11-13 10:39  thassine

	* configure, configure.in: added some halogen MM parameters, and
	  changed the version number.

2002-11-13 10:32  thassine

	* configure, configure.in: added some halogen MM parameters, and
	  changed the version number.

2002-11-11 11:22  thassine

	* src/Doxyfile: changed doxygen settings, and added some fixes for
	  gcc-3.2

2002-11-11 11:16  thassine

	* src/: Doxyfile, Makefile.OLD: the docs generator is now doxygen
	  also here.

2002-11-06 12:29  thassine

	* bin/user-docs/: MD.html, MD_viewer.html, aa_table.html,
	  add_hydrogens.html, basic_mm.html, documentation.css,
	  filetypes.html, formula.html, geometry_optimization.html,
	  import_types.html, index.html, introduction.html, labels.html,
	  mdi_mode.html, measure.html, perspective.html, references.html,
	  sequence_builder.html, images/2atoms_bond.png,
	  images/2atoms_unbonded.png, images/add_hydrogens.png,
	  images/add_hydrogens_select.png, images/change_bond_dialog.png,
	  images/change_bond_select.png, images/cyclohexane1.png,
	  images/cyclohexane2.png, images/cyclohexane_optimized.png,
	  images/cyclohexane_unoptimized.png, images/draw_button.png,
	  images/draw_hydrogens.png, images/first_atom.png,
	  images/formula.png, images/formula_select.png,
	  images/geometry_op_dialog.png,
	  images/geometry_opimization_console.png,
	  images/geometry_optimization_select.png, images/labels_menu.png,
	  images/md_dialog.png, images/modal.png, images/new_mm.png,
	  images/notebook.png, images/optimized_ethane.png,
	  images/periodic_button.png, images/periodic_table.png,
	  images/remove_hydrogens.png, images/sequence_builder.png,
	  images/sequence_builder_console.png, images/toplevel.png,
	  images/traj_dialog.png, images/window.png, projects.html: added
	  the Christopher's new docs.

2002-11-05 10:48  thassine

	* AUTHORS: added some new libs (reported that a modified RedHat7.3
	  needed these; should be added to configure system as well) : -lXt
	  -lSM -lICE

2002-10-31 12:27  thassine

	* bin/user-docs/: index.html: just terminology changes: reduced now
	  changed to simplified in strings.

2002-09-08 13:05  thassine

	* src/: Doxyfile, Makefile.OLD: changed the docs system into a
	  doxygen-based one. now using /// as a brief comment /** and this
	  as a detailed comment. */ int example;  ///< this is for comments
	  at end of statements.

2002-06-20 16:52  thassine

	* configure, configure.in: changed the version number to 0.91

2002-06-20 14:27  thassine

	* INSTALL: added some final fixes and comments.

2002-06-20 10:54  thassine

	* ghemical.spec: updated also the .spec file.

2002-06-20 10:36  thassine

	* CHANGES: updated the changelog; this is soon released as v0.90 if
	  no problems are found.

2002-06-20 10:25  thassine

	* INSTALL: updated the documentation.

2002-06-17 13:40  thassine

	* Makefile.in: the glade files are now installed correctly by make
	  install.

2002-06-17 12:52  thassine

	* Makefile.in: removed the old glade code + files.

2002-06-14 14:47  thassine

	* src/Makefile.OLD: fixed src/Makefile.OLD clean: also in HEAD.

2002-06-14 14:42  thassine

	* src/Makefile.OLD: the src/Makefile.OLD returned errors in clean:

2002-06-05 15:10  thassine

	* Makefile.in, configure, configure.in, src/Makefile.OLD:
	  back-ported the libglade-based geomopt dialog.

2002-06-05 14:39  thassine

	* src/Makefile.OLD: added some Makefile tweaks.

2002-05-31 19:34  hutchisn

	* configure, configure.in: Updated makefiles for libglade, etc.

2002-05-30 15:43  thassine

	* configure, configure.in: promoted the version number to 0.85 in
	  the HEAD branch.

2002-05-30 15:37  thassine

	* configure, configure.in: promoted the version number to 0.90 in
	  the MANY_PROJECTS_BRANCH, to avoid confusion between the
	  branches.

2002-05-30 14:07  thassine

	* Makefile.in, configure, configure.in: minor fixes like changed
	  directories etc added.

2002-05-30 11:17  thassine

	* src/Makefile.OLD: the makefiles are updated.

2002-05-30 10:40  thassine

	* CHANGES: the changelog is updated.

2002-05-30 10:39  thassine

	* CHANGES: updated the changelog

2002-05-30 10:35  thassine

	* src/Makefile.OLD: test; this goes to HEAD branch...

2002-05-30 10:35  thassine

	* src/Makefile.OLD: test; should show in branch only...

2002-05-30 09:45  thassine

	* CHANGES: Ok, changed my mind. The current version is now moved
	  into MANY_PROJECTS_BRANCH at CVS; this might be easier in the
	  long run.

2002-05-29 11:11  thassine

	* CHANGES: again testing that the OSP_BRANCH is separate; seems to
	  be but cvs2cl picks all commits to the log; I'll start using OSP:
	  identifier when working with the branch in the future.

2002-05-29 11:08  thassine

	* CHANGES: more branches practicing...

2002-05-29 10:48  thassine

	* CHANGES: first test commit in the branch.

2002-05-28 12:03  thassine

	* CHANGES: updated the changelog (using cvs2cl again).

2002-05-27 16:36  thassine

	* small-utilities/: getpdb_cd.cpp, getpdb_ftp.cpp: added some of my
	  own works; not all of this stuff is ready, but I need to start
	  converting them to fit into single-project environment.

2002-05-22 10:23  thassine

	* Makefile.in, configure, configure.in: configure script now
	  updated, scripts now compatible with autoconf 2.53

2002-05-21 14:06  thassine

	* aclocal.m4, configure.in, src/config.h.in: added the
	  configuration system for MPQC v1/v2 (thanks to Michael); BTW you
	  still have to run autoconf to update the configure script.

2002-04-04 15:18  thassine

	* BUGLIST, TODO: the BUGLIST and TODO files are now CSV text files
	  - use a spreadsheet program like Gnumeric or StarOffice/Calc to
	  read and/or modify them.

2002-02-28 13:43  thassine

	* ghemical.spec: the .spec file updated; the RPM now does the
	  installation with prefix /usr instead of /usr/local.

2002-02-26 10:28  thassine

	* ghemical.spec: some updates added to .spec file.

2002-02-25 13:29  thassine

	* AUTHORS, ghemical.spec, bin/ghemical.xpm: added the files for
	  building RedHat binary packages, contributed by Radek Liboska.

2002-02-22 16:09  thassine

	* configure, configure.in: switch back to development settings.

2002-02-22 12:36  thassine

	* CHANGES, INSTALL: changelog updated and all settings are now
	  ready for release as v0.82

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: 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.

2002-01-25 18:09  hutchisn

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

2002-01-21 09:44  thassine

	* INSTALL: removed .cvsignore from the oelib directory.

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 01:04  hutchisn

	* configure, configure.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: Updated with OpenBabel replacing OELib.

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: converted the old makefiles to use the Scientific
	  Computation toolkit (SC toolkit) of MPQC, instead of the MPQC
	  object files and headers directly.

2001-12-18 09:53  thassine

	* INSTALL: updated the installation docs.

2001-12-12 14:35  thassine

	* bin/user-docs/index.html: 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.

2001-11-27 07:35  hutchisn

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

2001-11-13 14:27  thassine

	* INSTALL: 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).

2001-11-08 12:19  thassine

	* configure, configure.in: back to devel settings, version number
	  changed to 0.82.

2001-11-08 09:51  thassine

	* CHANGES: 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.

2001-10-03 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/

2001-09-27 15:14  thassine

	* CHANGES: 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: 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 16:10  thassine

	* BUGLIST: 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: Add distclean targets to Makefiles

2001-09-07 16:22  thassine

	* CHANGES, configure, configure.in: development starts again,
	  promoted version number to 0.81

2001-09-06 10:21  thassine

	* CHANGES, INSTALL, bin/user-docs/index.html: 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...

2001-08-29 16:21  thassine

	* AUTHORS: added an alternative way for camera setup in stereo
	  viewing modes; copyright notices etc updated.

2001-08-29 10:08  thassine

	* configure, configure.in: a safer mopac locking mechanism added,
	  version number promoted to 0.80.

2001-08-28 10:04  thassine

	* INSTALL: 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.

2001-08-22 14:18  thassine

	* CHANGES: an initial version of energy-level diagrams for QM
	  models added (now works for mopac only).

2001-08-20 14:03  thassine

	* CHANGES: the rest of qm1_eng_mopac plots added, and a scaling bug
	  in MO plots fixed.

2001-08-18 12:45  thassine

	* CHANGES: some cleanups done in qm1_eng_mopac (the fortran and C
	  code are now better separated, easier to maintain).

2001-08-16 13:40  thassine

	* CHANGES: added some documentation about the mopac ESP plots.

2001-08-09 11:30  thassine

	* CHANGES: the plotting stuff for mm2_mdl is now also added.

2001-08-08 16:29  thassine

	* CHANGES: algorithms for mm2_mdl are added.

2001-08-01 16:46  thassine

	* CHANGES: small improvements for mm2_mdl and qm1_eng_mpqc but
	  nothing ready yet.

2001-06-25 14:21  thassine

	* bin/user-docs/index.html: minor updates in user's manual and
	  copyright notices (MOPAC included).

2001-06-21 11:49  thassine

	* CHANGES: gnome MDI system revised; one view/child (GtkNotebook
	  container), project views now grouped together.

2001-05-18 16:07  thassine

	* CHANGES: many factory classes combined to class_factory.

2001-05-08 14:22  thassine

	* src/Makefile.OLD: some improvements to readpdb; it now reads
	  multiple crd-sets present in NMR entries

2001-05-03 19:52  hutchisn

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

2001-04-24 14:10  thassine

	* INSTALL: documentation, old makefile, t3 bondtype dialog fixed a
	  bit.

2001-04-18 14:04  thassine

	* CHANGES: started merging the mm2_mdl code (accepted for
	  publication :)

2001-04-18 11:22  thassine

	* CHANGES: added miniMOPAC and QM geometry optimization.

2001-03-30 13:21  thassine

	* configure, configure.in: switched back to devel settings; the
	  version number is now 0.43

2001-03-30 11:30  thassine

	* CHANGES: minor cleanups; this is released as 0.42

2001-03-14 18:40  hutchisn

	* bin/examples/PeriodicTable.mm1gp: Fixed atom colors and add
	  example Periodic Table.

2001-03-14 15:00  thassine

	* CHANGES, configure, configure.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: this is released as version 0.41

2001-03-09 00:49  hutchisn

	* Makefile.in: Add target for help files.

2001-03-08 16:59  thassine

	* CHANGES: 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: 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.

2001-02-11 16:36  thassine

	* CHANGES, bin/examples/1gar.mm2gp, bin/examples/1hcl.mm2gp,
	  bin/examples/4rhn.mm2gp: tadaall added a preview version of the
	  reduced protein modelling thing.

2001-02-10 17:09  thassine

	* INSTALL, configure, configure.in: changed back to devel settings
	  (version number, releasedate); small fixes appled here and there.

2001-02-07 11:24  thassine

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

2001-02-06 11:21  thassine

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

2001-02-06 10:44  thassine

	* configure, configure.in: some cleanups at glade optionmenus; the
	  version number promoted to 0.40

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: 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.

2001-01-31 19:32  thassine

	* CHANGES: changed MM trajectory file format; some Do???-functions
	  moved to model (and are now accessible in TARGET1 also).

2001-01-22 09:52  thassine

	* src/Makefile.OLD: started to convert comments into a form
	  suitable to DOC++

2001-01-20 08:19  hutchisn

	* PROJECT: [no log message]

2001-01-06 00:38  hutchisn

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

2001-01-03 12:03  thassine

	* CHANGES: dialogs; read from glade/src/Makefile how to retain your
	  changes in GLADE code.

2001-01-02 14:42  thassine

	* INSTALL, PROJECT: started making some dialogs using GLADE...

2001-01-01 15:53  thassine

	* AUTHORS, INSTALL, PROJECT: 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...

2000-12-22 16:47  thassine

	* CHANGES: added target-dependent middle classes for docviews and
	  views; simplifies the base-classes a bit

2000-12-22 13:34  thassine

	* BUGLIST: treelist works now pretty well (see BUGLIST for some
	  details)

2000-12-19 18:57  thassine

	* CHANGES: added framework for tree/list views, and smaller changes

2000-12-01 23:49  hutchisn

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

2000-11-28 19:40  hutchisn

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

2000-11-28 17:41  thassine

	* CHANGES: some cleanups : public data changed protected in many
	  classes

2000-11-28 14:18  thassine

	* CHANGES: any things broken/mixed up, but we have a standard GNOME
	  MDI app now

2000-11-27 18:47  hutchisn

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

2000-11-27 10:51  thassine

	* configure, configure.in: Makefile.in -files updated (configure
	  still broken)

2000-11-26 15:05  thassine

	* CHANGES: 3rd stage of doc/view changes

2000-11-24 15:36  thassine

	* CHANGES: 2nd stage of doc/view reorganization

2000-11-23 17:07  thassine

	* CHANGES: 1st round of doc/view changes (will break the
	  configure-script)

2000-11-16 17:06  hutchisn

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

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 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: 1st round of mm1_mdl file format revision

2000-11-09 14:42  thassine

	* BUGLIST, CHANGES, src/Makefile.OLD: graphics improvements, volume
	  rendering added

2000-11-01 14:43  thassine

	* CHANGES: added primary/secondary paths for parameter files

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: 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: Changes to move to an autoconf-derived configure
	  script.

2000-10-25 11:45  thassine

	* CHANGES: better GnomeUIInfo initialization (the RH7-patch from
	  GH)

2000-10-25 10:47  thassine

	* CHANGES: the multiple view management bug fixed (at last)

2000-10-25 03:02  hutchisn

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

2000-10-23 17:20  thassine

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

2000-10-23 11:59  thassine

	* CHANGES: improved mm1_chn_info

2000-10-21 12:42  thassine

	* CHANGES, src/Makefile: new source tree with old makefiles

2000-10-21 11:16  thassine

	* CHANGES: 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: added file dialogs for GNOME
	  version, changed examples

2000-09-09 17:49  thassine

	* CHANGES: just a few minor changes

2000-09-09 15:17  thassine

	* BUGLIST, CHANGES, INSTALL, PROJECT, src/new.h: 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, src/Makefile, src/new.cpp,
	  src/new.h: 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, src/Makefile, src/new.cpp,
	  src/new.h: start : the initial version

