| 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 | 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 | 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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| 2022-09-25 |
Toshi Nagata | Handling of Psi4 execution GUI is improved |
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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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| 2022-02-23 |
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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| 2021-12-20 |
Toshi Nagata | Embedded scripts now contain magic comments to specify... |
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| 2018-03-12 |
toshinagata1964 | More options in Create GAMESS dialog. |
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| 2016-04-26 |
toshinagata1964 | Ruby dialog behaves strange when specifying pre- and... |
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| 2014-09-08 |
toshinagata1964 | In the 'Show MO surface' dialog, the labels for the... |
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| 2014-09-08 |
toshinagata1964 | In the 'Show MO surface' dialog, the labels for the... |
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| 2014-09-03 |
toshinagata1964 | The same problem as r564 was still present during local... |
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| 2014-07-28 |
toshinagata1964 | 'Show MO Surface' is expanded so that the natural orbit... |
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| 2014-07-27 |
toshinagata1964 | import_nbo_log is being implemented (not working yet) |
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| 2014-07-25 |
toshinagata1964 | DRC log from GAMESS can be imported now |
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| 2014-06-26 |
toshinagata1964 | The MO information is now stored in the mbsf file. |
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| 2014-06-18 |
toshinagata1964 | 'Show Energy' window is implemented. |
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| 2014-06-14 |
toshinagata1964 | On importing Gamess output, the energy values are read... |
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| 2014-05-22 |
toshinagata1964 | Handling of Gaussian fchk files was causing problems... |
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| 2014-04-25 |
toshinagata1964 | Setting the 'Scratch' directory is sorted out. |
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| 2014-04-24 |
toshinagata1964 | Running GAMESS causes trouble when the temporary direct... |
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| 2014-04-24 |
toshinagata1964 | Running GAMESS locally on Windows is in trouble (still... |
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| 2014-04-10 |
toshinagata1964 | GAMESS execution from Ruby script is improved (not... |
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| 2014-04-04 |
toshinagata1964 | GAMESS dialog is modified so that manual editing is... |
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| 2014-03-27 |
toshinagata1964 | Embedded Ruby: problems with encoding is being fixed... |
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| 2014-03-24 |
toshinagata1964 | The subprocess handling is (hopefully) improved. |
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| 2014-03-16 |
toshinagata1964 | 'Show' menu is renamed to 'View'. 'Show...' menus are... |
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| 2014-03-15 |
toshinagata1964 | Script menu handling is improved |
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| 2014-02-16 |
toshinagata1964 | 'proc' is replaced with 'lambda' for creating a Proc... |
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| 2014-02-03 |
toshinagata1964 | Embed ruby 2.0 instead of 1.8.7 |
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| 2014-01-14 |
toshinagata1964 | Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets... |
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| 2013-11-09 |
toshinagata1964 | 'Create MOPAC input' is implemented |
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| 2013-11-01 |
toshinagata1964 | MOPAC 6.06 is included in the binary |
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| 2013-06-29 |
toshinagata1964 | A progress indicator (and stop button) for subprocesses... |
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| 2013-06-17 |
toshinagata1964 | During GAMESS optimization, avoid displaying the same... |
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| 2013-06-15 |
toshinagata1964 | Antechamber command is made more visible (e.g. when... |
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| 2013-06-14 |
toshinagata1964 | Local execution of GAMESS is implemented |
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| 2013-06-11 |
toshinagata1964 | On creating PM3 input for GAMESS, NGAUSS=3 is also... |
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| 2013-01-21 |
toshinagata1964 | GAMESS log containing F and G type orbitals can now... |
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| 2012-12-20 |
toshinagata1964 | export_gamess is modified so that arbitrary keyword... |
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| 2012-11-22 |
toshinagata1964 | Handling of GAMESS basis set is modified. The 'external... |
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| 2012-11-02 |
toshinagata1964 | Suppress output of pi-anchors when generating GAMESS... |
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| 2010-05-06 |
toshinagata1964 | generation of internal coordinates (NZVAR=#{3n-5})... |
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| 2010-03-20 |
toshinagata1964 | Some features of Dialog class are modified; Dialog... |
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| 2010-03-13 |
toshinagata1964 | DialogItem class is implemented; Dialog#item and Dialog... |
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| 2010-03-09 |
toshinagata1964 | The class RubyDialog is renamed to Dialog. All Molby... |
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| 2010-02-28 |
toshinagata1964 | The DISPATOM parameters are renamed to ELEMENT, to... |
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| 2010-02-24 |
toshinagata1964 | Parameter#bond, angle, etc. are no longer implemented... |
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| 2010-01-21 |
toshinagata1964 | initial import |
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