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molby/Molby.git
10 years agoFix crash in MO surface window when F orbitals are included
toshinagata1964 [Tue, 1 Jul 2014 16:06:23 +0000 (16:06 +0000)]
Fix crash in MO surface window when F orbitals are included

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@556 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe electron density surface can be drawn by create_surface(:total_density).
toshinagata1964 [Sun, 29 Jun 2014 14:39:58 +0000 (14:39 +0000)]
The electron density surface can be drawn by create_surface(:total_density).

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@555 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe MO information is now stored in the mbsf file.
toshinagata1964 [Thu, 26 Jun 2014 10:29:48 +0000 (10:29 +0000)]
The MO information is now stored in the mbsf file.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@554 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe extra property values are now saved into the mbsf files.
toshinagata1964 [Wed, 25 Jun 2014 11:40:38 +0000 (11:40 +0000)]
The extra property values are now saved into the mbsf files.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@553 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoShow MO Surface dialog is updated (hopefully improved)
toshinagata1964 [Thu, 19 Jun 2014 10:50:59 +0000 (10:50 +0000)]
Show MO Surface dialog is updated (hopefully improved)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@552 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoShow MO Surface dialog is implemented.
toshinagata1964 [Thu, 19 Jun 2014 05:50:27 +0000 (05:50 +0000)]
Show MO Surface dialog is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@551 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoHandling of Ruby subwindows (non-modal dialogs) is being improved (not yet complete)
toshinagata1964 [Wed, 18 Jun 2014 15:46:55 +0000 (15:46 +0000)]
Handling of Ruby subwindows (non-modal dialogs) is being improved (not yet complete)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@550 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years ago'Show Energy' window is implemented.
toshinagata1964 [Wed, 18 Jun 2014 11:06:42 +0000 (11:06 +0000)]
'Show Energy' window is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@549 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoOn importing Gamess output, the energy values are read and set as the property.
toshinagata1964 [Sat, 14 Jun 2014 11:15:57 +0000 (11:15 +0000)]
On importing Gamess output, the energy values are read and set as the property.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@548 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoExtra properties (assignable for each frame) are introduced.
toshinagata1964 [Fri, 13 Jun 2014 11:35:44 +0000 (11:35 +0000)]
Extra properties (assignable for each frame) are introduced.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@547 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoset_surface_attr now accepts attributes :color and :color0. The behavior of set_surfa...
toshinagata1964 [Sun, 8 Jun 2014 15:37:09 +0000 (15:37 +0000)]
set_surface_attr now accepts attributes :color and :color0. The behavior of set_surface_attr for negative threshold is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@546 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe atomic radii for graphical display are corrected; the van der Waals radii are...
toshinagata1964 [Thu, 5 Jun 2014 04:03:41 +0000 (04:03 +0000)]
The atomic radii for graphical display are corrected; the van der Waals radii are used wherever available, otherwise suitable radii are derived from the covalent radii.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@545 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agocreate_surface is somewhat improved (looks like working)
toshinagata1964 [Tue, 27 May 2014 15:30:22 +0000 (15:30 +0000)]
create_surface is somewhat improved (looks like working)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@544 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoReference to the Molby paper is added to the document
toshinagata1964 [Tue, 27 May 2014 13:25:22 +0000 (13:25 +0000)]
Reference to the Molby paper is added to the document

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@543 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoHandling of Gaussian fchk files was causing problems. Fixed.
toshinagata1964 [Thu, 22 May 2014 00:20:05 +0000 (00:20 +0000)]
Handling of Gaussian fchk files was causing problems. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@542 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoCreating MO surface is improved (not much tested yet)
toshinagata1964 [Wed, 21 May 2014 15:56:38 +0000 (15:56 +0000)]
Creating MO surface is improved (not much tested yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@541 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoStart implementing MO surface display: Molecule.create_surface(mo_index) is working...
toshinagata1964 [Tue, 20 May 2014 14:29:03 +0000 (14:29 +0000)]
Start implementing MO surface display: Molecule.create_surface(mo_index) is working, but not good yet

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@540 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby: get_mo_coefficients and get_mo_energy are implemented. The atomic coordinates...
toshinagata1964 [Sat, 26 Apr 2014 13:43:30 +0000 (13:43 +0000)]
Ruby: get_mo_coefficients and get_mo_energy are implemented. The atomic coordinates are no longer cached within the MO information. Windows: on creating the cube file, the format of the floating point numbers is changed (exponent is 2-digits instead of 3-digits)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@539 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoVersion 1.0b2
toshinagata1964 [Sat, 26 Apr 2014 03:26:48 +0000 (03:26 +0000)]
Version 1.0b2

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@537 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMSW: document_home is modified to use the Windows API, instead of hard-coded path...
toshinagata1964 [Sat, 26 Apr 2014 02:58:35 +0000 (02:58 +0000)]
MSW: document_home is modified to use the Windows API, instead of hard-coded path (which was wrong on Windows Vista and later)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@536 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMac: 'Window' menu is implemented.
toshinagata1964 [Sat, 26 Apr 2014 02:37:59 +0000 (02:37 +0000)]
Mac: 'Window' menu is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@535 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agobackquote in MSW is not working well (still under investigation)
toshinagata1964 [Fri, 25 Apr 2014 11:26:58 +0000 (11:26 +0000)]
backquote in MSW is not working well (still under investigation)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@534 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSetting the 'Scratch' directory is sorted out.
toshinagata1964 [Fri, 25 Apr 2014 05:18:32 +0000 (05:18 +0000)]
Setting the 'Scratch' directory is sorted out.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@533 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMSW: when the program is started twice, the second invocation was causing crash....
toshinagata1964 [Fri, 25 Apr 2014 05:17:57 +0000 (05:17 +0000)]
MSW: when the program is started twice, the second invocation was causing crash. Hopefully fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@532 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRunning GAMESS causes trouble when the temporary directory has a whitespace within...
toshinagata1964 [Thu, 24 Apr 2014 16:44:28 +0000 (16:44 +0000)]
Running GAMESS causes trouble when the temporary directory has a whitespace within the path string (not working yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@531 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRunning GAMESS locally on Windows is in trouble (still working on it)
toshinagata1964 [Thu, 24 Apr 2014 11:45:15 +0000 (11:45 +0000)]
Running GAMESS locally on Windows is in trouble (still working on it)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@530 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoIn reading MM/MD parameters, check criteria for duplicate parameters are somewhat...
toshinagata1964 [Wed, 23 Apr 2014 15:32:04 +0000 (15:32 +0000)]
In reading MM/MD parameters, check criteria for duplicate parameters are somewhat relaxed (i.e. comparison of floating numbers is allowed for rounding errors)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@529 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoBuilding on MSW caused 'missing DLL' problems.
toshinagata1964 [Wed, 23 Apr 2014 11:43:16 +0000 (11:43 +0000)]
Building on MSW caused 'missing DLL' problems.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@528 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSymmetry Operations dialog was not working for setting new symmetry. Fixed.
toshinagata1964 [Fri, 11 Apr 2014 11:32:26 +0000 (11:32 +0000)]
Symmetry Operations dialog was not working for setting new symmetry. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@527 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoGAMESS execution from Ruby script is improved (not quite well yet)
toshinagata1964 [Thu, 10 Apr 2014 11:12:52 +0000 (11:12 +0000)]
GAMESS execution from Ruby script is improved (not quite well yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@526 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoGAMESS dialog is modified so that manual editing is possible. (Still not quite consis...
toshinagata1964 [Fri, 4 Apr 2014 11:21:15 +0000 (11:21 +0000)]
GAMESS dialog is modified so that manual editing is possible. (Still not quite consistent though.)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@525 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agosqrt out-of-range error is now avoided in docking a fragment
toshinagata1964 [Thu, 3 Apr 2014 14:41:54 +0000 (14:41 +0000)]
sqrt out-of-range error is now avoided in docking a fragment

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@524 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoCleaning up the documents and build scripts (xcode)
toshinagata1964 [Thu, 3 Apr 2014 14:40:51 +0000 (14:40 +0000)]
Cleaning up the documents and build scripts (xcode)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@523 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoBuild scripts are updated (contd)
toshinagata1964 [Fri, 28 Mar 2014 11:14:37 +0000 (11:14 +0000)]
Build scripts are updated (contd)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@521 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoBuild scripts are updated; now the zip files are created every time after the release...
toshinagata1964 [Fri, 28 Mar 2014 11:07:21 +0000 (11:07 +0000)]
Build scripts are updated; now the zip files are created every time after the release builds are made

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@520 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument is updated; the Japanese version of GPL text is now in html format.
toshinagata1964 [Fri, 28 Mar 2014 06:45:19 +0000 (06:45 +0000)]
Document is updated; the Japanese version of GPL text is now in html format.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@519 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby: $error_history global variable is introduced, which retains the error messages...
toshinagata1964 [Fri, 28 Mar 2014 05:44:00 +0000 (05:44 +0000)]
Ruby: $error_history global variable is introduced, which retains the error messages on script execution.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@518 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoHandling of string encoding in Ruby scripts is improved.
toshinagata1964 [Fri, 28 Mar 2014 05:26:44 +0000 (05:26 +0000)]
Handling of string encoding in Ruby scripts is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@517 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoXtal: bonds and angles dialog had wrong description of the symmetry operations.
toshinagata1964 [Fri, 28 Mar 2014 05:25:57 +0000 (05:25 +0000)]
Xtal: bonds and angles dialog had wrong description of the symmetry operations.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@516 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby errinfo should be cleared before beginning new evalutation
toshinagata1964 [Fri, 28 Mar 2014 01:27:23 +0000 (01:27 +0000)]
Ruby errinfo should be cleared before beginning new evalutation

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@515 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoHistory invocation in Molby Console may crash when nil is the result
toshinagata1964 [Fri, 28 Mar 2014 01:26:56 +0000 (01:26 +0000)]
History invocation in Molby Console may crash when nil is the result

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@514 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoEmbedded Ruby: problems with encoding is being fixed (not complete yet?)
toshinagata1964 [Thu, 27 Mar 2014 01:10:17 +0000 (01:10 +0000)]
Embedded Ruby: problems with encoding is being fixed (not complete yet?)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@513 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoClean up some of the sources
toshinagata1964 [Wed, 26 Mar 2014 02:36:22 +0000 (02:36 +0000)]
Clean up some of the sources

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@512 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoUndo action for the 'create_bond' action was incorrect, causing crash.
toshinagata1964 [Wed, 26 Mar 2014 02:33:45 +0000 (02:33 +0000)]
Undo action for the 'create_bond' action was incorrect, causing crash.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@511 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument: the Japanese version of the Steps 8 and 10 are completed.
toshinagata1964 [Wed, 26 Mar 2014 00:01:22 +0000 (00:01 +0000)]
Document: the Japanese version of the Steps 8 and 10 are completed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@510 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument: the Japanese version of the Steps 8 and 10 are being written.
toshinagata1964 [Tue, 25 Mar 2014 15:25:22 +0000 (15:25 +0000)]
Document: the Japanese version of the Steps 8 and 10 are being written.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@509 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoA couple of bugfix in the Document. The version number is set to 1.0b1.
toshinagata1964 [Tue, 25 Mar 2014 11:10:53 +0000 (11:10 +0000)]
A couple of bugfix in the Document. The version number is set to 1.0b1.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@508 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoTable view on Mac sometimes crashes. Hopefully fixed (I am not sure)
toshinagata1964 [Tue, 25 Mar 2014 00:51:21 +0000 (00:51 +0000)]
Table view on Mac sometimes crashes. Hopefully fixed (I am not sure)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@507 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures in Step 11 are updated
toshinagata1964 [Tue, 25 Mar 2014 00:09:17 +0000 (00:09 +0000)]
Document figures in Step 11 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@506 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures in Step 9 are updated.
toshinagata1964 [Mon, 24 Mar 2014 23:51:25 +0000 (23:51 +0000)]
Document figures in Step 9 are updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@505 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures in Step 7 are updated.
toshinagata1964 [Mon, 24 Mar 2014 16:59:49 +0000 (16:59 +0000)]
Document figures in Step 7 are updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@504 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures for Step 6 are updated
toshinagata1964 [Mon, 24 Mar 2014 16:33:58 +0000 (16:33 +0000)]
Document figures for Step 6 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@503 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures in Step 5 are updated
toshinagata1964 [Mon, 24 Mar 2014 16:04:58 +0000 (16:04 +0000)]
Document figures in Step 5 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@502 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument figures for part 3 and 4 are updated
toshinagata1964 [Mon, 24 Mar 2014 14:41:34 +0000 (14:41 +0000)]
Document figures for part 3 and 4 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@501 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument: figures in Step Two are updated
toshinagata1964 [Mon, 24 Mar 2014 11:43:44 +0000 (11:43 +0000)]
Document: figures in Step Two are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@500 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument: figures in Step One are updated
toshinagata1964 [Mon, 24 Mar 2014 11:10:24 +0000 (11:10 +0000)]
Document: figures in Step One are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@499 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDocument is being updated.
toshinagata1964 [Mon, 24 Mar 2014 10:49:54 +0000 (10:49 +0000)]
Document is being updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@498 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoVdW exclusion regarding pi-anchors is slightly changed.
toshinagata1964 [Mon, 24 Mar 2014 10:49:29 +0000 (10:49 +0000)]
VdW exclusion regarding pi-anchors is slightly changed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@497 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoGuess UFF parameters dialog is improved.
toshinagata1964 [Mon, 24 Mar 2014 09:57:26 +0000 (09:57 +0000)]
Guess UFF parameters dialog is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@496 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoVdw exclusion failed when pi-anchors were present.
toshinagata1964 [Mon, 24 Mar 2014 09:56:06 +0000 (09:56 +0000)]
Vdw exclusion failed when pi-anchors were present.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@495 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe subprocess handling is (hopefully) improved.
toshinagata1964 [Mon, 24 Mar 2014 04:36:37 +0000 (04:36 +0000)]
The subprocess handling is (hopefully) improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@494 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoZ matrix import is implemented.
toshinagata1964 [Sun, 23 Mar 2014 16:37:41 +0000 (16:37 +0000)]
Z matrix import is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@493 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSome coordination motifs are included in the predefined fragments.
toshinagata1964 [Sun, 23 Mar 2014 16:37:18 +0000 (16:37 +0000)]
Some coordination motifs are included in the predefined fragments.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@492 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSome add/delete operation caused unexpected termination.
toshinagata1964 [Sun, 23 Mar 2014 16:28:55 +0000 (16:28 +0000)]
Some add/delete operation caused unexpected termination.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@491 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby-1.8.7 is now removed from the repository.
toshinagata1964 [Sun, 23 Mar 2014 14:53:30 +0000 (14:53 +0000)]
Ruby-1.8.7 is now removed from the repository.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@490 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby-2.0.0 is now included in the repository.
toshinagata1964 [Sun, 23 Mar 2014 14:52:50 +0000 (14:52 +0000)]
Ruby-2.0.0 is now included in the repository.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@489 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoCommands in the Xtal menus are improved and documented.
toshinagata1964 [Sun, 23 Mar 2014 14:50:30 +0000 (14:50 +0000)]
Commands in the Xtal menus are improved and documented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@488 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agomopac6 is no longer bundled.
toshinagata1964 [Sun, 23 Mar 2014 14:48:56 +0000 (14:48 +0000)]
mopac6 is no longer bundled.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@487 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSome of the Xtal-related functions are improved.
toshinagata1964 [Sat, 22 Mar 2014 03:32:04 +0000 (03:32 +0000)]
Some of the Xtal-related functions are improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@486 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoObsolete codes are removed
toshinagata1964 [Fri, 21 Mar 2014 15:27:36 +0000 (15:27 +0000)]
Obsolete codes are removed

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@485 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoProperty table can now show fractional coordinates
toshinagata1964 [Fri, 21 Mar 2014 15:27:11 +0000 (15:27 +0000)]
Property table can now show fractional coordinates

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@484 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe menu commands in the Script menu were updated.
toshinagata1964 [Fri, 21 Mar 2014 13:32:28 +0000 (13:32 +0000)]
The menu commands in the Script menu were updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@483 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoExport graphics (and print preview) is now working on Windows. (Compiling OpenGL_exte...
toshinagata1964 [Fri, 21 Mar 2014 03:54:13 +0000 (03:54 +0000)]
Export graphics (and print preview) is now working on Windows. (Compiling OpenGL_extensions.c with optimization was causing problem. I do not know why.)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@482 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSpace group table look all right. Export Graphics is implemented; it is working on...
toshinagata1964 [Thu, 20 Mar 2014 08:27:58 +0000 (08:27 +0000)]
Space group table look all right. Export Graphics is implemented; it is working on Mac, but not yet on Windows.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@481 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoSpace group table is being updated (still has problems)
toshinagata1964 [Wed, 19 Mar 2014 11:46:00 +0000 (11:46 +0000)]
Space group table is being updated (still has problems)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@480 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoUnit Cell dialog (seems to be working)
toshinagata1964 [Tue, 18 Mar 2014 23:22:23 +0000 (23:22 +0000)]
Unit Cell dialog (seems to be working)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@479 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoUnit Cell dialog is being modified. Still not working very well.
toshinagata1964 [Tue, 18 Mar 2014 16:19:16 +0000 (16:19 +0000)]
Unit Cell dialog is being modified. Still not working very well.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@478 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDefine Symmetry dialog is being implemented (not done yet)
toshinagata1964 [Tue, 18 Mar 2014 09:53:42 +0000 (09:53 +0000)]
Define Symmetry dialog is being implemented (not done yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@477 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoOn MSW, resizing subwindows in Ruby Dialog sometimes did not work. Fixed.
toshinagata1964 [Tue, 18 Mar 2014 00:07:03 +0000 (00:07 +0000)]
On MSW, resizing subwindows in Ruby Dialog sometimes did not work. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@476 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoOpenGL extensions are implemented for Windows
toshinagata1964 [Mon, 17 Mar 2014 16:26:16 +0000 (16:26 +0000)]
OpenGL extensions are implemented for Windows

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@475 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoPrinting is implemented (still experimental)
toshinagata1964 [Mon, 17 Mar 2014 11:48:57 +0000 (11:48 +0000)]
Printing is implemented (still experimental)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@474 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoLine/Ball-and-stick/Space-filling modes are implemented
toshinagata1964 [Mon, 17 Mar 2014 05:18:52 +0000 (05:18 +0000)]
Line/Ball-and-stick/Space-filling modes are implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@473 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years ago'Show' menu is renamed to 'View'. 'Show...' menus are now implemented in Ruby.
toshinagata1964 [Sun, 16 Mar 2014 15:04:43 +0000 (15:04 +0000)]
'Show' menu is renamed to 'View'. 'Show...' menus are now implemented in Ruby.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@472 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe source codes are cleaned up
toshinagata1964 [Sat, 15 Mar 2014 10:31:07 +0000 (10:31 +0000)]
The source codes are cleaned up

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@471 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMenu items are rearranged
toshinagata1964 [Sat, 15 Mar 2014 08:49:14 +0000 (08:49 +0000)]
Menu items are rearranged

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@470 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoScript menu handling is improved
toshinagata1964 [Sat, 15 Mar 2014 04:43:49 +0000 (04:43 +0000)]
Script menu handling is improved

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@469 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoCommand line version is made buildable again
toshinagata1964 [Fri, 14 Mar 2014 10:40:36 +0000 (10:40 +0000)]
Command line version is made buildable again

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@468 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoThe Xcode project settings are modified (to avoid 'different visibility' link errors)
toshinagata1964 [Fri, 14 Mar 2014 10:23:43 +0000 (10:23 +0000)]
The Xcode project settings are modified (to avoid 'different visibility' link errors)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@467 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoRuby: Kernel#fw (formula weight) is implemented.
toshinagata1964 [Fri, 14 Mar 2014 09:44:49 +0000 (09:44 +0000)]
Ruby: Kernel#fw (formula weight) is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@466 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoAtomic weights are handled as floats instead of doubles. Fixed.
toshinagata1964 [Fri, 14 Mar 2014 09:44:18 +0000 (09:44 +0000)]
Atomic weights are handled as floats instead of doubles. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@465 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoClean up crystal.rb (remove debug code etc.)
toshinagata1964 [Fri, 14 Mar 2014 01:14:10 +0000 (01:14 +0000)]
Clean up crystal.rb (remove debug code etc.)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@464 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoBest-fit plane dialog is slightly modified
toshinagata1964 [Thu, 13 Mar 2014 11:18:34 +0000 (11:18 +0000)]
Best-fit plane dialog is slightly modified

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@463 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoExporting ORTEP drawing to TIFF is supported
toshinagata1964 [Thu, 13 Mar 2014 05:56:37 +0000 (05:56 +0000)]
Exporting ORTEP drawing to TIFF is supported

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@462 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMakefile is updated so that MSW version is properly built
toshinagata1964 [Thu, 13 Mar 2014 05:56:06 +0000 (05:56 +0000)]
Makefile is updated so that MSW version is properly built

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@461 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoCopyright description in the About dialog is updated.
toshinagata1964 [Thu, 13 Mar 2014 05:54:56 +0000 (05:54 +0000)]
Copyright description in the About dialog is updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@460 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoDraw ORTEP dialog: export to eps and png are implemented.
toshinagata1964 [Wed, 12 Mar 2014 15:53:03 +0000 (15:53 +0000)]
Draw ORTEP dialog: export to eps and png are implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@459 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoShow ORTEP dialog is being implemented (continued, not yet complete)
toshinagata1964 [Wed, 12 Mar 2014 11:26:06 +0000 (11:26 +0000)]
Show ORTEP dialog is being implemented (continued, not yet complete)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@458 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoBitmap drawing is implemented in Molby::Dialog (experimental)
toshinagata1964 [Wed, 12 Mar 2014 11:25:08 +0000 (11:25 +0000)]
Bitmap drawing is implemented in Molby::Dialog (experimental)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@457 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoShow ORTEP dialog is being implemented (not yet complete)
toshinagata1964 [Tue, 11 Mar 2014 11:22:52 +0000 (11:22 +0000)]
Show ORTEP dialog is being implemented (not yet complete)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@456 a2be9bc6-48de-4e38-9406-05402d4bc13c

10 years agoMyListCtrl now allows use of popup menus including separator items and disabled items
toshinagata1964 [Tue, 11 Mar 2014 11:22:25 +0000 (11:22 +0000)]
MyListCtrl now allows use of popup menus including separator items and disabled items

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@455 a2be9bc6-48de-4e38-9406-05402d4bc13c