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molby/Molby.git
2022-11-15
Toshi Nagata
Support load/save of NBO info
master
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2022-11-15
Toshi Nagata
Win: Fix runtime crash when settings file has wrong...
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2022-10-30
Toshi Nagata
MO surface display is improved
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2022-10-25
Toshi Nagata
Copyright and License description for JANPA are included
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2022-10-25
Toshi Nagata
Desciption of LHO/AHO is improved
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2022-10-20
Toshi Nagata
Show MO Surface dialog is improved
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2022-10-16
Toshi Nagata
Description of JANPA orbitals is improved (distinction...
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2022-10-16
Toshi Nagata
Importing JANPA log is improved
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2022-10-16
Toshi Nagata
F/F7/G/G9 orbitals are implemented
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2022-10-16
Toshi Nagata
Molden import: handling of spherical functions is improved
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2022-10-16
Toshi Nagata
Start implementing 'additional exponent' for JANPA...
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2022-10-10
Toshi Nagata
Checking Java availability is improved
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2022-10-10
Toshi Nagata
call_subprocess now accepts an array of arguments,...
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2022-10-09
Toshi Nagata
MSW: closing console->molecule was causing crash. Hopef...
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2022-10-09
Toshi Nagata
Improve JANPA integration: show orbital descriptions...
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2022-10-02
Toshi Nagata
Start implementing JANPA integration with Psi4
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2022-10-01
Toshi Nagata
Fix the horizontal scale of Show Energy window
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2022-10-01
Toshi Nagata
hartree_to_kcal() and similar methods are implemented
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2022-10-01
Toshi Nagata
Psi4 export: 'Select Path' renamed to 'Select Folder'
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2022-09-29
Toshi Nagata
Psi4 export: symmetry, center-of-mass move, reorient...
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2022-09-29
Toshi Nagata
Rotation by slider shows the rotation angle (and snap...
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2022-09-28
Toshi Nagata
Fix the description of wxWidgets copyright
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2022-09-28
Toshi Nagata
Edit GAMESS/Psi4 input was not working correctly (Enter...
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2022-09-27
Toshi Nagata
Check wx version for wxUpdateUIEvent::IsCheckable()
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2022-09-25
Toshi Nagata
Handling of Psi4 execution GUI is improved
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2022-09-25
Toshi Nagata
Handling of script menu items are improved (hopefully)
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2022-09-25
Toshi Nagata
Psi4 execution is improved (avoid duplicate import...
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2022-09-24
Toshi Nagata
Psi4 import is improved (nalpha and nbeta are correctly...
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2022-09-24
Toshi Nagata
Export and execute Psi4 is implemented
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2022-09-24
Toshi Nagata
Importing Psi4 output is implemented (experimental)
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2022-09-19
Toshi Nagata
Xcode project is updated for making release build of...
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2022-09-19
Toshi Nagata
MyListCtrl_orig files are removed
v1.1.0
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2022-09-19
Toshi Nagata
Compiler warnings are mostly removed.
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2022-09-19
Toshi Nagata
Handling key and mouse events in listctrl is improved
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2022-09-18
Toshi Nagata
OSX: set the system option for file dialog
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2022-09-18
Toshi Nagata
MyToggleButton is aware of the activeness of the window
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2022-09-18
Toshi Nagata
docview.cpp is removed from OSX/MSW build
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2022-09-18
Toshi Nagata
Fix typo in the document
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2022-09-18
Toshi Nagata
Font of ruby dialog is now correctly set
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2022-09-18
Toshi Nagata
The scroll position of the atom list is always reset...
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2022-09-18
Toshi Nagata
Handling and scroll and activation is improved
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2022-09-18
Toshi Nagata
API of open_auxiliary_window is changed, so that they...
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2022-09-17
Toshi Nagata
Win: high resolution display is implemented
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2022-09-17
Toshi Nagata
Handling is selection in table views is improved
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2022-09-15
Toshi Nagata
Display of new listctrl is mostly working; editing...
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2022-09-13
Toshi Nagata
OpenGL canvas is updated for supporting high-res display
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2022-09-12
Toshi Nagata
Mac target is now buildable (not working yet)
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2022-09-11
Toshi Nagata
Start writing new MyListCtrl
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2022-09-11
Toshi Nagata
MyListCtrl.{cpp,h} are renamed to MyListCtrl_orig
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2022-09-04
Toshi Nagata
Prepare for migration to wxWidgets3.2 (only for Mac...
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2022-02-23
Toshi Nagata
Handling of IntGroup's in some Molecule methods are...
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2022-02-23
Toshi Nagata
Copy section from GAMESS output keeps the information...
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2022-02-12
Toshi Nagata
On creating GAMESS input, use internal flag must be...
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2022-02-11
Toshi Nagata
SADPOINT and IRC runtypes are now implemented in Create...
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2022-02-11
Toshi Nagata
Avoid opening files during execution of other Ruby...
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2022-02-11
Toshi Nagata
Mac: Molby_command target is removed.
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2022-01-28
Toshi Nagata
Calling subprocess was (still) having problems. Hopeful...
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2022-01-27
Toshi Nagata
Concatenate frames command is implemented.
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2022-01-27
Toshi Nagata
All Ruby strings now have default external encoding
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2022-01-24
Toshi Nagata
The batch mode crashes if Ruby exception was raised...
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2022-01-23
Toshi Nagata
The batch mode was running in a GUI mode. Fixed.
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2022-01-18
Toshi Nagata
Fix unexpected crash when progress dialog is hidden...
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2022-01-18
Toshi Nagata
Update copyright year
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2021-12-25
Toshi Nagata
Verbose flag during CIF import is now off by default.
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2021-12-25
Toshi Nagata
ORTEP silently fails with non positive-definite B....
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2021-12-25
Toshi Nagata
Calling subprocess sometimes causes a crash. Hopefully...
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2021-12-25
Toshi Nagata
Win: pthread library is linked statically
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2021-12-23
Toshi Nagata
Import CIF is improved (newer CIF can now be read)
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2021-12-20
Toshi Nagata
Embedded scripts now contain magic comments to specify...
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2021-12-20
Toshi Nagata
Win: Ruby: default external encoding is set before...
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2021-12-19
Toshi Nagata
Win: Random crash on double-clicking the document file...
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2021-12-19
Toshi Nagata
Modified listctrl sources are now based on 3.0.3
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2021-12-19
Toshi Nagata
Document folder is now included in the Windows installe...
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2021-11-16
Toshi Nagata
Xcode build settings are updated (Molby_command is...
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2021-11-16
Toshi Nagata
Document is included in the application, and 'Molby...
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2021-11-14
Toshi Nagata
Batch mode is implemented (still testing)
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2021-11-09
Toshi Nagata
Version 1.0.2
v1.0.2
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2021-11-09
Toshi Nagata
Document is updated (handling of UFF parameters)
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2021-11-08
Toshi Nagata
Win10: screen update is improved
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2021-11-07
Toshi Nagata
UFF bond length and angle parameters are now automatica...
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2021-11-07
Toshi Nagata
Version info is updated on every build on Mac platform
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2021-11-07
Toshi Nagata
Handling of progress dialog is improved.
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2021-11-07
Toshi Nagata
Calling subprocess is reworked.
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2021-11-07
Toshi Nagata
Editing UFF parameters sometimes caused crash.
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2021-11-07
Toshi Nagata
Migration to git (forgot to commit)
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2021-11-06
Toshi Nagata
Version control is migrated from SVN to Git; some repos...
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2021-11-06
Toshi Nagata
memo.txt is removed from the repository
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2021-11-05
toshinagata1964
Build options are updated to match the author's develop...
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2021-11-05
toshinagata1964
Some FORTRAN sources are modified so that it can be...
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2021-11-05
toshinagata1964
MyListCtrl now destroy internal editText every time...
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2021-08-13
toshinagata1964
Building process on Xcode is revised.
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2021-08-13
toshinagata1964
LAMatrix:SVD may cause random crashes. Fixed.
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2019-08-17
toshinagata1964
Windows: the installer now can install 64bit or 32bit...
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2019-08-17
toshinagata1964
About dialog is improved.
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2019-08-17
toshinagata1964
Implementation of vsaprintf() is improved
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2019-08-17
toshinagata1964
On double-clicking and entering formula, the last input...
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2019-08-17
toshinagata1964
NO2, SO (sulfonyl) and SO3H (sulfonic acid) are now...
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2019-08-16
toshinagata1964
Ruby document is updated.
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2019-08-16
toshinagata1964
Version number is set to 1.0
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2019-08-16
toshinagata1964
Build-win32 directory is added to the repository
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