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Molden import: handling of spherical functions is improved
[molby/Molby.git] / Scripts / loadsave.rb
2022-10-16 Toshi NagataMolden import: handling of spherical functions is improved blob | commitdiff
2022-10-16 Toshi NagataStart implementing 'additional exponent' for JANPA... blob | commitdiff | diff to current
2022-10-09 Toshi NagataImprove JANPA integration: show orbital descriptions... blob | commitdiff | diff to current
2022-10-02 Toshi NagataStart implementing JANPA integration with Psi4 blob | commitdiff | diff to current
2022-09-24 Toshi NagataPsi4 import is improved (nalpha and nbeta are correctly... blob | commitdiff | diff to current
2022-09-24 Toshi NagataImporting Psi4 output is implemented (experimental) blob | commitdiff | diff to current
2021-12-25 Toshi NagataVerbose flag during CIF import is now off by default. blob | commitdiff | diff to current
2021-12-23 Toshi NagataImport CIF is improved (newer CIF can now be read) blob | commitdiff | diff to current
2021-12-20 Toshi NagataEmbedded scripts now contain magic comments to specify... blob | commitdiff | diff to current
2016-04-27 toshinagata1964A CIF file with multiple structures now can be processe... blob | commitdiff | diff to current
2015-11-01 toshinagata1964Ruby: from_dump was not working because String#each... blob | commitdiff | diff to current
2014-09-12 toshinagata1964Implement loading/saving of graphiobjects from/to mbsf... blob | commitdiff | diff to current
2014-08-26 toshinagata1964On importing Gamess log file, 'energy' property values... blob | commitdiff | diff to current
2014-07-28 toshinagata1964'Show MO Surface' is expanded so that the natural orbit... blob | commitdiff | diff to current
2014-07-25 toshinagata1964DRC log from GAMESS can be imported now blob | commitdiff | diff to current
2014-06-26 toshinagata1964The MO information is now stored in the mbsf file. blob | commitdiff | diff to current
2014-06-19 toshinagata1964Show MO Surface dialog is implemented. blob | commitdiff | diff to current
2014-06-18 toshinagata1964'Show Energy' window is implemented. blob | commitdiff | diff to current
2014-06-14 toshinagata1964On importing Gamess output, the energy values are read... blob | commitdiff | diff to current
2014-06-13 toshinagata1964Extra properties (assignable for each frame) are introd... blob | commitdiff | diff to current
2014-05-20 toshinagata1964Start implementing MO surface display: Molecule.create_... blob | commitdiff | diff to current
2014-03-23 toshinagata1964Some coordination motifs are included in the predefined... blob | commitdiff | diff to current
2014-03-22 toshinagata1964Some of the Xtal-related functions are improved. blob | commitdiff | diff to current
2013-11-13 toshinagata1964In cif import, the parentheses in the atom names will... blob | commitdiff | diff to current
2013-11-13 toshinagata1964Input files were not recognized when the end-of-line... blob | commitdiff | diff to current
2013-02-12 toshinagata1964CIF files from old TeXsan software cannot be loaded... blob | commitdiff | diff to current
2013-02-12 toshinagata1964Symmetry expansion was incomplete in CIF import. Improv... blob | commitdiff | diff to current
2013-01-21 toshinagata1964GAMESS log containing F and G type orbitals can now... blob | commitdiff | diff to current
2012-11-02 toshinagata1964Suppress output of pi-anchors when generating GAMESS... blob | commitdiff | diff to current
2012-10-30 toshinagata1964Expanding by symmetry (and loading cif file) was not... blob | commitdiff | diff to current
2012-10-28 toshinagata1964The load/save codes are rewritten, so that the error... blob | commitdiff | diff to current
2012-06-29 toshinagata1964The anisotropic parameters for the symmetry expanded... blob | commitdiff | diff to current
2012-06-28 toshinagata1964Symmetry expansion in CIF import is improved. (May... blob | commitdiff | diff to current
2012-06-27 toshinagata1964Molecule#expand_by_symmetry now returns an array of... blob | commitdiff | diff to current
2012-06-27 toshinagata1964Molecule#symop_for_transform and transform_for_symop... blob | commitdiff | diff to current
2012-06-25 toshinagata1964The restriction on the number of bonds (12) is removed... blob | commitdiff | diff to current
2012-06-20 toshinagata1964Symmetry operations from the CIF file were not read... blob | commitdiff | diff to current
2012-03-29 toshinagata1964CIF import may fail when _geom_bond_site_symmetry_1... blob | commitdiff | diff to current
2012-02-26 toshinagata1964.log and .out are both accepted as the extension of... blob | commitdiff | diff to current
2011-11-30 toshinagata1964Rms of crystallographic parameters (from the CIF file... blob | commitdiff | diff to current
2011-10-31 toshinagata1964CIF import is improved, so that bonds including the... blob | commitdiff | diff to current
2011-09-26 toshinagata1964Improve crd/mdcrd import. blob | commitdiff | diff to current
2011-08-19 toshinagata1964Importing mdcrd was still broken. Fixed (hopefully) blob | commitdiff | diff to current
2011-08-05 toshinagata1964Fix mdcrd import to allow coordinates using full 8... blob | commitdiff | diff to current
2011-08-01 toshinagata1964MO import from GAMESS output is being implemented ... blob | commitdiff | diff to current
2011-07-28 toshinagata1964CIF import is implemented (maybe still incomplete) blob | commitdiff | diff to current
2011-07-20 toshinagata1964Importing mdcrd with periodic box now works correctly. blob | commitdiff | diff to current
2011-07-06 toshinagata1964Importing Amber mdcrd files is implemented. blob | commitdiff | diff to current
2010-05-16 toshinagata1964The native format (mbsf) now preserves the display... blob | commitdiff | diff to current
2010-05-06 toshinagata1964Undo is kept enabled during 'molload' and related calls... blob | commitdiff | diff to current
2010-02-23 toshinagata1964The return value of Ruby command loadout was incorrect... blob | commitdiff | diff to current
2010-01-21 toshinagata1964initial import blob | commitdiff | diff to current
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