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molby/Molby.git
2013-09-27 toshinagata1964Ruby dialog capabilities are added: the items can now... commit | commitdiff | tree | snapshot
2013-09-25 toshinagata1964Ruby dialog: allow changing font in static text commit | commitdiff | tree | snapshot
2013-09-21 toshinagata1964Ruby: IntGroup#== is modified so that it returns false... commit | commitdiff | tree | snapshot
2013-08-27 toshinagata1964'Guess UFF Parameters' dialog is introduced. Not workin... commit | commitdiff | tree | snapshot
2013-08-27 toshinagata1964Vdw and Vdw-pair parameters can now have atom indices... commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964Implement load/save/set/get of bond order information. commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964Message handling on Molby::Dialog is improved (occasion... commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964Antechamber dialog can now accept an extra argument... commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964Molecule#fragments is implemented. Molecule#fragments... commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964Table (ListCtrl) support in Molby::Dialog is improved. commit | commitdiff | tree | snapshot
2013-08-10 toshinagata1964ParameterRef#eps14 wrongly returned eps instead of... commit | commitdiff | tree | snapshot
2013-08-06 toshinagata1964Ruby Dialog: implement popup menu for table cells commit | commitdiff | tree | snapshot
2013-08-05 toshinagata1964Ruby: IntGroup#==, IntGroup#each_range are implemented commit | commitdiff | tree | snapshot
2013-08-05 toshinagata1964Event handling of the Ruby dialog is improved. commit | commitdiff | tree | snapshot
2013-08-02 toshinagata1964Popup menu on the list control is implemented (also... commit | commitdiff | tree | snapshot
2013-08-02 toshinagata1964Desciptions of UFF atom types are included. commit | commitdiff | tree | snapshot
2013-08-02 toshinagata1964On calling antechamber, atom names are modified so... commit | commitdiff | tree | snapshot
2013-08-01 toshinagata1964Resize of the Ruby Dialog is improved (still experiment... commit | commitdiff | tree | snapshot
2013-07-26 toshinagata1964Manual resizing of Ruby Dialog is implemented (still... commit | commitdiff | tree | snapshot
2013-07-25 toshinagata1964The Ruby Dialog can now be set as resizable. (Automatic... commit | commitdiff | tree | snapshot
2013-07-25 toshinagata1964'Table' (aka. 'List') control is implemented in Molby... commit | commitdiff | tree | snapshot
2013-07-25 toshinagata1964The 'Create Pi Anchor' menu command now excludes hydrog... commit | commitdiff | tree | snapshot
2013-07-24 toshinagata1964After creation of a pi anchor, only the newly created... commit | commitdiff | tree | snapshot
2013-06-29 toshinagata1964A progress indicator (and stop button) for subprocesses... commit | commitdiff | tree | snapshot
2013-06-29 toshinagata1964Ruby: Molecule#call_subprocess_async and Kernel#backquo... commit | commitdiff | tree | snapshot
2013-06-17 toshinagata1964During GAMESS optimization, avoid displaying the same... commit | commitdiff | tree | snapshot
2013-06-17 toshinagata1964When antechamber is successfully run, existing improper... commit | commitdiff | tree | snapshot
2013-06-17 toshinagata1964Molecule#remove_improper is modified so that it can... commit | commitdiff | tree | snapshot
2013-06-17 toshinagata1964C60 fullerene is introduced as the predefined structure. commit | commitdiff | tree | snapshot
2013-06-15 toshinagata1964Version 0.6.5 commit | commitdiff | tree | snapshot
2013-06-15 toshinagata1964Document is updated for local execution of GAMESS and... commit | commitdiff | tree | snapshot
2013-06-15 toshinagata1964Antechamber command is made more visible (e.g. when... commit | commitdiff | tree | snapshot
2013-06-14 toshinagata1964Local execution of GAMESS is implemented commit | commitdiff | tree | snapshot
2013-06-13 toshinagata1964Kernel#show_console_window, Kernel#hide_console_window... commit | commitdiff | tree | snapshot
2013-06-13 toshinagata1964Kernel#call_subprocess can now accept a callback procedure. commit | commitdiff | tree | snapshot
2013-06-11 toshinagata1964r356 modification was not correct. Updated. commit | commitdiff | tree | snapshot
2013-06-11 toshinagata1964Importing PM3/GAMESS log is improved. (The atomic infor... commit | commitdiff | tree | snapshot
2013-06-11 toshinagata1964On creating PM3 input for GAMESS, NGAUSS=3 is also... commit | commitdiff | tree | snapshot
2013-06-11 toshinagata1964gcc-4.0 is specified when building on Mac 10.5 and... commit | commitdiff | tree | snapshot
2013-02-24 toshinagata1964Calculation of bonds and angles with standard deviation... commit | commitdiff | tree | snapshot
2013-02-12 toshinagata1964CIF files from old TeXsan software cannot be loaded... commit | commitdiff | tree | snapshot
2013-02-12 toshinagata1964Symmetry expansion was incomplete in CIF import. Improv... commit | commitdiff | tree | snapshot
2013-01-21 toshinagata1964GAMESS log containing F and G type orbitals can now... commit | commitdiff | tree | snapshot
2012-12-20 toshinagata1964export_gamess is modified so that arbitrary keyword... commit | commitdiff | tree | snapshot
2012-11-27 toshinagata1964Bond creation is updated so that duplicate bond/angle... commit | commitdiff | tree | snapshot
2012-11-27 toshinagata1964Molecule#neutralize was not working. Fixed. commit | commitdiff | tree | snapshot
2012-11-27 toshinagata1964Copyright statement was updated to include FFTW. commit | commitdiff | tree | snapshot
2012-11-27 toshinagata1964Deleting bonds was causing bus error. Fixed. commit | commitdiff | tree | snapshot
2012-11-26 toshinagata1964MSW: when the console frame gets focus, all text was... commit | commitdiff | tree | snapshot
2012-11-23 toshinagata1964Building instructions and makefiles are updated. commit | commitdiff | tree | snapshot
2012-11-22 toshinagata1964Handling of GAMESS basis set is modified. The 'external... commit | commitdiff | tree | snapshot
2012-11-22 toshinagata1964Calculation of reciprocal cell parameter was incorrect... commit | commitdiff | tree | snapshot
2012-11-20 toshinagata1964Some wrong behavior of PME calculation is fixed. commit | commitdiff | tree | snapshot
2012-11-19 toshinagata1964An error in PME energy calculation is corrected. MDArea... commit | commitdiff | tree | snapshot
2012-11-19 toshinagata1964Error message in Molecule#atoms[] was not working.... commit | commitdiff | tree | snapshot
2012-11-19 toshinagata1964MDArena#use_ewald, ewald_beta, ewald_grid, ewald_freq... commit | commitdiff | tree | snapshot
2012-11-14 toshinagata1964(Retry committing) Particle mesh Ewald (still in progress) commit | commitdiff | tree | snapshot
2012-11-14 toshinagata1964(Re-retry committing) expand_by_symmetry was not workin... commit | commitdiff | tree | snapshot
2012-11-14 toshinagata1964Particle mesh Ewald (still in progress) commit | commitdiff | tree | snapshot
2012-11-14 toshinagata1964(Retry committing) expand_by_symmetry was not working... commit | commitdiff | tree | snapshot
2012-11-14 toshinagata1964expand_by_symmetry was not working correctly when no... commit | commitdiff | tree | snapshot
2012-11-12 toshinagata1964Change in Antechamber/Resp dialog: molecular charge... commit | commitdiff | tree | snapshot
2012-11-12 toshinagata1964In calling a subprocess, a wait of 10 msec is inserted... commit | commitdiff | tree | snapshot
2012-11-11 toshinagata1964Particle Mesh Ewald is being implemented (still not... commit | commitdiff | tree | snapshot
2012-11-02 toshinagata1964Suppress output of pi-anchors when generating GAMESS... commit | commitdiff | tree | snapshot
2012-11-02 toshinagata1964Utility methods Enumerable#sum and Enumerable#average... commit | commitdiff | tree | snapshot
2012-11-01 toshinagata1964When new bonds are created, angles of type X-##-##... commit | commitdiff | tree | snapshot
2012-11-01 toshinagata1964Parameter lookup was not working correctly when neither... commit | commitdiff | tree | snapshot
2012-11-01 toshinagata1964'==' operator is defined for Parameter, ParameterRef... commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964Create Pi Anchor menu command is implemented. commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964Parameter#lookup (and related methods) can now look... commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964History functionality is available in the Ruby console... commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964Parameter methods angle, angles, bond, bonds, etc.... commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964Flashing of the table while pressing the shift key... commit | commitdiff | tree | snapshot
2012-10-31 toshinagata1964Symmetry expanded atoms now can be selected by mouse... commit | commitdiff | tree | snapshot
2012-10-30 toshinagata1964Expanding by symmetry (and loading cif file) was not... commit | commitdiff | tree | snapshot
2012-10-30 toshinagata1964Attribute table was not updated correctly after revert... commit | commitdiff | tree | snapshot
2012-10-30 toshinagata1964Revert command is implemented. commit | commitdiff | tree | snapshot
2012-10-30 toshinagata1964Atom renumbering was not working for pi anchor table... commit | commitdiff | tree | snapshot
2012-10-30 toshinagata1964Two subsequent dragging of different atoms were causing... commit | commitdiff | tree | snapshot
2012-10-29 toshinagata1964Remove previous pi-anchor codes. commit | commitdiff | tree | snapshot
2012-10-29 toshinagata1964Pi anchor implementation is done. commit | commitdiff | tree | snapshot
2012-10-29 toshinagata1964New implementation of pi anchor atoms is close to compl... commit | commitdiff | tree | snapshot
2012-10-28 toshinagata1964New create_pi_anchor method is implemented (but not... commit | commitdiff | tree | snapshot
2012-10-28 toshinagata1964The load/save codes are rewritten, so that the error... commit | commitdiff | tree | snapshot
2012-10-26 toshinagata1964Another implementation of pi-anchor is being tried... commit | commitdiff | tree | snapshot
2012-10-25 toshinagata1964Pi atom positions are now cached within the piatom... commit | commitdiff | tree | snapshot
2012-10-25 toshinagata1964Merging/unmerging molecules are extensively revised... commit | commitdiff | tree | snapshot
2012-10-24 toshinagata1964Connection check is rewritten to include the pi anchor... commit | commitdiff | tree | snapshot
2012-10-24 toshinagata1964Pi anchor force calculation is being implemented (not... commit | commitdiff | tree | snapshot
2012-10-23 toshinagata1964The third argument to Molecule#get_coord_from_frame... commit | commitdiff | tree | snapshot
2012-10-23 toshinagata1964Handling of buildInfo.txt and revisionInfo.txt are... commit | commitdiff | tree | snapshot
2012-10-23 toshinagata1964Handling of version numbers in update_version.rb was... commit | commitdiff | tree | snapshot
2012-10-23 toshinagata1964Molecule#get_coord_from_frame now always tries to copy... commit | commitdiff | tree | snapshot
2012-10-22 toshinagata1964Kernel#exit is now untouched in the command line versio... commit | commitdiff | tree | snapshot
2012-10-19 toshinagata1964Molecule#cell_flexibility, set_cell_flexibility are... commit | commitdiff | tree | snapshot
2012-10-13 toshinagata1964version 0.6.4 commit | commitdiff | tree | snapshot
2012-10-13 toshinagata1964Document is updated, and an appendix describing the... commit | commitdiff | tree | snapshot
2012-10-12 toshinagata1964Experimental 'filter' mode is removed. commit | commitdiff | tree | snapshot
2012-10-12 toshinagata1964Ruby: Dialog#filter_kit is implemented. This looks... commit | commitdiff | tree | snapshot
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