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Ruby-2.0.0 is now included in the repository.
[molby/Molby.git] / Scripts /
2014-03-23 toshinagata1964Commands in the Xtal menus are improved and documented. tree | commitdiff
2014-03-23 toshinagata1964mopac6 is no longer bundled. tree | commitdiff
2014-03-22 toshinagata1964Some of the Xtal-related functions are improved. tree | commitdiff
2014-03-21 toshinagata1964The menu commands in the Script menu were updated. tree | commitdiff
2014-03-20 toshinagata1964Space group table look all right. Export Graphics is... tree | commitdiff
2014-03-19 toshinagata1964Space group table is being updated (still has problems) tree | commitdiff
2014-03-18 toshinagata1964Unit Cell dialog (seems to be working) tree | commitdiff
2014-03-18 toshinagata1964Unit Cell dialog is being modified. Still not working... tree | commitdiff
2014-03-18 toshinagata1964Define Symmetry dialog is being implemented (not done... tree | commitdiff
2014-03-17 toshinagata1964Line/Ball-and-stick/Space-filling modes are implemented tree | commitdiff
2014-03-16 toshinagata1964'Show' menu is renamed to 'View'. 'Show...' menus are... tree | commitdiff
2014-03-15 toshinagata1964Menu items are rearranged tree | commitdiff
2014-03-15 toshinagata1964Script menu handling is improved tree | commitdiff
2014-03-14 toshinagata1964Ruby: Kernel#fw (formula weight) is implemented. tree | commitdiff
2014-03-14 toshinagata1964Clean up crystal.rb (remove debug code etc.) tree | commitdiff
2014-03-13 toshinagata1964Best-fit plane dialog is slightly modified tree | commitdiff
2014-03-13 toshinagata1964Exporting ORTEP drawing to TIFF is supported tree | commitdiff
2014-03-12 toshinagata1964Draw ORTEP dialog: export to eps and png are implemented. tree | commitdiff
2014-03-12 toshinagata1964Show ORTEP dialog is being implemented (continued,... tree | commitdiff
2014-03-11 toshinagata1964Show ORTEP dialog is being implemented (not yet complete) tree | commitdiff
2014-03-10 toshinagata1964'show ortep' command is being implemented (not complete... tree | commitdiff
2014-03-05 toshinagata1964In 'Guess UFF Parameters' dialog, the button name is... tree | commitdiff
2014-03-01 toshinagata1964Create packing diagram can be invoked only if unit... tree | commitdiff
2014-03-01 toshinagata1964Create packing diagram is improved so that the expansio... tree | commitdiff
2014-02-27 toshinagata1964Create crystal packing is implemented tree | commitdiff
2014-02-16 toshinagata1964'Create MO Cube' does not work when the molecule has... tree | commitdiff
2014-02-16 toshinagata1964'Define Unit Cell' dialog is modified. It now allows... tree | commitdiff
2014-02-16 toshinagata1964'proc' is replaced with 'lambda' for creating a Proc... tree | commitdiff
2014-02-16 toshinagata1964Complete by symmetry is implemented tree | commitdiff
2014-02-03 toshinagata1964Embed ruby 2.0 instead of 1.8.7 tree | commitdiff
2014-01-14 toshinagata1964Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets... tree | commitdiff
2013-11-16 toshinagata1964Best fit planes dialog is modified again; the dialog... tree | commitdiff
2013-11-16 toshinagata1964Bond/Angle with Sigma dialog is overhauled (now working). tree | commitdiff
2013-11-15 toshinagata1964Bond/Angle with Sigma dialog is being overhauled. ... tree | commitdiff
2013-11-15 toshinagata1964Best-fit plane dialog is now modeless, which allows... tree | commitdiff
2013-11-14 toshinagata1964Handling of pi-anchor atoms is slightly modified tree | commitdiff
2013-11-13 toshinagata1964In cif import, the parentheses in the atom names will... tree | commitdiff
2013-11-13 toshinagata1964Guess UFF Parameters Dialog is updated tree | commitdiff
2013-11-13 toshinagata1964Input files were not recognized when the end-of-line... tree | commitdiff
2013-11-09 toshinagata1964'Create MOPAC input' is implemented tree | commitdiff
2013-11-01 toshinagata1964MOPAC 6.06 is included in the binary tree | commitdiff
2013-10-21 toshinagata1964cyclohexane-twist-boat.mbsf is added to the repository tree | commitdiff
2013-10-20 toshinagata1964The built-in structures of cycloalkanes are updated tree | commitdiff
2013-10-16 toshinagata1964'Guess UFF Parameters' dialog is further improved ... tree | commitdiff
2013-10-14 toshinagata1964Guessed dihedral force in metallocene systems were... tree | commitdiff
2013-10-14 toshinagata1964angle and dihedral settings in 'Guess UFF Parameters... tree | commitdiff
2013-10-14 toshinagata1964Guess of metal-pi bond parameter is implemented (angle... tree | commitdiff
2013-10-11 toshinagata1964Guess UFF parameters dialog is improved. tree | commitdiff
2013-08-27 toshinagata1964'Guess UFF Parameters' dialog is introduced. Not workin... tree | commitdiff
2013-08-10 toshinagata1964Antechamber dialog can now accept an extra argument... tree | commitdiff
2013-08-02 toshinagata1964Desciptions of UFF atom types are included. tree | commitdiff
2013-08-02 toshinagata1964On calling antechamber, atom names are modified so... tree | commitdiff
2013-08-01 toshinagata1964Resize of the Ruby Dialog is improved (still experiment... tree | commitdiff
2013-06-29 toshinagata1964A progress indicator (and stop button) for subprocesses... tree | commitdiff
2013-06-17 toshinagata1964During GAMESS optimization, avoid displaying the same... tree | commitdiff
2013-06-17 toshinagata1964When antechamber is successfully run, existing improper... tree | commitdiff
2013-06-17 toshinagata1964C60 fullerene is introduced as the predefined structure. tree | commitdiff
2013-06-15 toshinagata1964Antechamber command is made more visible (e.g. when... tree | commitdiff
2013-06-14 toshinagata1964Local execution of GAMESS is implemented tree | commitdiff
2013-06-13 toshinagata1964Kernel#show_console_window, Kernel#hide_console_window... tree | commitdiff
2013-06-11 toshinagata1964On creating PM3 input for GAMESS, NGAUSS=3 is also... tree | commitdiff
2013-02-24 toshinagata1964Calculation of bonds and angles with standard deviation... tree | commitdiff
2013-02-12 toshinagata1964CIF files from old TeXsan software cannot be loaded... tree | commitdiff
2013-02-12 toshinagata1964Symmetry expansion was incomplete in CIF import. Improv... tree | commitdiff
2013-01-21 toshinagata1964GAMESS log containing F and G type orbitals can now... tree | commitdiff
2012-12-20 toshinagata1964export_gamess is modified so that arbitrary keyword... tree | commitdiff
2012-11-27 toshinagata1964Molecule#neutralize was not working. Fixed. tree | commitdiff
2012-11-22 toshinagata1964Handling of GAMESS basis set is modified. The 'external... tree | commitdiff
2012-11-12 toshinagata1964Change in Antechamber/Resp dialog: molecular charge... tree | commitdiff
2012-11-11 toshinagata1964Particle Mesh Ewald is being implemented (still not... tree | commitdiff
2012-11-02 toshinagata1964Suppress output of pi-anchors when generating GAMESS... tree | commitdiff
2012-11-02 toshinagata1964Utility methods Enumerable#sum and Enumerable#average... tree | commitdiff
2012-10-30 toshinagata1964Expanding by symmetry (and loading cif file) was not... tree | commitdiff
2012-10-30 toshinagata1964Attribute table was not updated correctly after revert... tree | commitdiff
2012-10-29 toshinagata1964Pi anchor implementation is done. tree | commitdiff
2012-10-28 toshinagata1964The load/save codes are rewritten, so that the error... tree | commitdiff
2012-10-22 toshinagata1964Kernel#exit is now untouched in the command line versio... tree | commitdiff
2012-10-13 toshinagata1964Document is updated, and an appendix describing the... tree | commitdiff
2012-10-12 toshinagata1964Experimental 'filter' mode is removed. tree | commitdiff
2012-10-12 toshinagata1964Ruby: Dialog#filter_kit is implemented. This looks... tree | commitdiff
2012-10-03 toshinagata1964ORTEP export did not generate the same orientation... tree | commitdiff
2012-07-25 toshinagata1964Handling of selection from Ruby script was partially... tree | commitdiff
2012-07-24 toshinagata1964Best fit plane dialog was behaving strangely Fixed. tree | commitdiff
2012-07-24 toshinagata1964Export ORTEP (improved) and best-fit plane calculations... tree | commitdiff
2012-07-05 toshinagata1964Implemented minimization of cell parameters. Looks... tree | commitdiff
2012-06-29 toshinagata1964The anisotropic parameters for the symmetry expanded... tree | commitdiff
2012-06-29 toshinagata1964Pressure control and surface potential are removed... tree | commitdiff
2012-06-28 toshinagata1964Symmetry expansion in CIF import is improved. (May... tree | commitdiff
2012-06-27 toshinagata1964Molecule#expand_by_symmetry now returns an array of... tree | commitdiff
2012-06-27 toshinagata1964Molecule#symop_for_transform and transform_for_symop... tree | commitdiff
2012-06-25 toshinagata1964The restriction on the number of bonds (12) is removed... tree | commitdiff
2012-06-22 toshinagata1964Include periodicity flags in the 'define unit cell... tree | commitdiff
2012-06-21 toshinagata1964Problem on guessing UFF angle parameter was fixed. tree | commitdiff
2012-06-20 toshinagata1964Symmetry operations from the CIF file were not read... tree | commitdiff
2012-06-13 toshinagata1964The order of parameters in cmd_edit_local_parameter_in_... tree | commitdiff
2012-05-09 toshinagata1964UFF parameter guess is implemented. tree | commitdiff
2012-05-09 toshinagata1964Molecule.neutralize was not working correctly. Fixed... tree | commitdiff
2012-05-08 toshinagata1964Parameter editing is under overhaul. tree | commitdiff
2012-03-29 toshinagata1964CIF import may fail when _geom_bond_site_symmetry_1... tree | commitdiff
2012-02-26 toshinagata1964.log and .out are both accepted as the extension of... tree | commitdiff
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