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molby/Molby.git
2014-02-04 toshinagata1964Mac: the ruby console does not work well when the Input...
2014-02-04 toshinagata1964Behavior of Ruby Console is improved.
2014-02-03 toshinagata1964Embed ruby 2.0 instead of 1.8.7
2014-01-30 toshinagata1964The document of Molecule#find_close_atoms is slightly...
2014-01-30 toshinagata1964Ruby: Molecule#find_close_atoms is modified so that...
2014-01-15 toshinagata1964Cleanup Makefiles. Molby_command (on Mac) build target...
2014-01-14 toshinagata1964Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets...
2013-11-19 toshinagata1964Big change in GUI appearance on MSW; the MDI interface...
2013-11-19 toshinagata1964Documents for mopac6 and nbo3.0 are included in the...
2013-11-16 toshinagata1964Best fit planes dialog is modified again; the dialog...
2013-11-16 toshinagata1964Bond/Angle with Sigma dialog is overhauled (now working).
2013-11-15 toshinagata1964Bond/Angle with Sigma dialog is being overhauled. ...
2013-11-15 toshinagata1964Best-fit plane dialog is now modeless, which allows...
2013-11-15 toshinagata1964Minimizing structure including pi-anchor atoms was...
2013-11-14 toshinagata1964Handling of pi-anchor atoms is slightly modified
2013-11-13 toshinagata1964In cif import, the parentheses in the atom names will...
2013-11-13 toshinagata1964Guess UFF Parameters Dialog is updated
2013-11-13 toshinagata1964Input files were not recognized when the end-of-line...
2013-11-09 toshinagata1964'Create MOPAC input' is implemented
2013-11-01 toshinagata1964MOPAC 6.06 is included in the binary
2013-11-01 toshinagata1964Kernel#call_subprocess and Molecule#call_subprocess_asy...
2013-11-01 toshinagata1964Kernel#call_subprocess and Molecule#call_subprocess_asy...
2013-10-21 toshinagata1964RubyDialogCallback_drawEllipse is modified so as to...
2013-10-21 toshinagata1964The ellipse drawn by draw_ellipse was out of position...
2013-10-21 toshinagata1964cyclohexane-twist-boat.mbsf is added to the repository
2013-10-20 toshinagata1964Graphic drawing is implemented in Ruby Dialog (on_paint...
2013-10-20 toshinagata1964The built-in structures of cycloalkanes are updated
2013-10-16 toshinagata1964'Guess UFF Parameters' dialog is further improved ...
2013-10-14 toshinagata1964Guessed dihedral force in metallocene systems were...
2013-10-14 toshinagata1964Exclusion of non-bonding interaction in pi-metal system...
2013-10-14 toshinagata1964Undo after md_arena.run(0) was not working. Fixed.
2013-10-14 toshinagata1964angle and dihedral settings in 'Guess UFF Parameters...
2013-10-14 toshinagata1964Guess of metal-pi bond parameter is implemented (angle...
2013-10-14 toshinagata1964The document for the MD parameter description was incor...
2013-10-11 toshinagata1964Guess UFF parameters dialog is improved.
2013-10-11 toshinagata1964Documents are updated to include new Ruby methods.
2013-09-27 toshinagata1964Some missing functions in cmdtool_stubs.c are implemented.
2013-09-27 toshinagata1964Ruby dialog capabilities are added: the items can now...
2013-09-25 toshinagata1964Ruby dialog: allow changing font in static text
2013-09-21 toshinagata1964Ruby: IntGroup#== is modified so that it returns false...
2013-08-27 toshinagata1964'Guess UFF Parameters' dialog is introduced. Not workin...
2013-08-27 toshinagata1964Vdw and Vdw-pair parameters can now have atom indices...
2013-08-10 toshinagata1964Implement load/save/set/get of bond order information.
2013-08-10 toshinagata1964Message handling on Molby::Dialog is improved (occasion...
2013-08-10 toshinagata1964Antechamber dialog can now accept an extra argument...
2013-08-10 toshinagata1964Molecule#fragments is implemented. Molecule#fragments...
2013-08-10 toshinagata1964Table (ListCtrl) support in Molby::Dialog is improved.
2013-08-10 toshinagata1964ParameterRef#eps14 wrongly returned eps instead of...
2013-08-06 toshinagata1964Ruby Dialog: implement popup menu for table cells
2013-08-05 toshinagata1964Ruby: IntGroup#==, IntGroup#each_range are implemented
2013-08-05 toshinagata1964Event handling of the Ruby dialog is improved.
2013-08-02 toshinagata1964Popup menu on the list control is implemented (also...
2013-08-02 toshinagata1964Desciptions of UFF atom types are included.
2013-08-02 toshinagata1964On calling antechamber, atom names are modified so...
2013-08-01 toshinagata1964Resize of the Ruby Dialog is improved (still experiment...
2013-07-26 toshinagata1964Manual resizing of Ruby Dialog is implemented (still...
2013-07-25 toshinagata1964The Ruby Dialog can now be set as resizable. (Automatic...
2013-07-25 toshinagata1964'Table' (aka. 'List') control is implemented in Molby...
2013-07-25 toshinagata1964The 'Create Pi Anchor' menu command now excludes hydrog...
2013-07-24 toshinagata1964After creation of a pi anchor, only the newly created...
2013-06-29 toshinagata1964A progress indicator (and stop button) for subprocesses...
2013-06-29 toshinagata1964Ruby: Molecule#call_subprocess_async and Kernel#backquo...
2013-06-17 toshinagata1964During GAMESS optimization, avoid displaying the same...
2013-06-17 toshinagata1964When antechamber is successfully run, existing improper...
2013-06-17 toshinagata1964Molecule#remove_improper is modified so that it can...
2013-06-17 toshinagata1964C60 fullerene is introduced as the predefined structure.
2013-06-15 toshinagata1964Version 0.6.5
2013-06-15 toshinagata1964Document is updated for local execution of GAMESS and...
2013-06-15 toshinagata1964Antechamber command is made more visible (e.g. when...
2013-06-14 toshinagata1964Local execution of GAMESS is implemented
2013-06-13 toshinagata1964Kernel#show_console_window, Kernel#hide_console_window...
2013-06-13 toshinagata1964Kernel#call_subprocess can now accept a callback procedure.
2013-06-11 toshinagata1964r356 modification was not correct. Updated.
2013-06-11 toshinagata1964Importing PM3/GAMESS log is improved. (The atomic infor...
2013-06-11 toshinagata1964On creating PM3 input for GAMESS, NGAUSS=3 is also...
2013-06-11 toshinagata1964gcc-4.0 is specified when building on Mac 10.5 and...
2013-02-24 toshinagata1964Calculation of bonds and angles with standard deviation...
2013-02-12 toshinagata1964CIF files from old TeXsan software cannot be loaded...
2013-02-12 toshinagata1964Symmetry expansion was incomplete in CIF import. Improv...
2013-01-21 toshinagata1964GAMESS log containing F and G type orbitals can now...
2012-12-20 toshinagata1964export_gamess is modified so that arbitrary keyword...
2012-11-27 toshinagata1964Bond creation is updated so that duplicate bond/angle...
2012-11-27 toshinagata1964Molecule#neutralize was not working. Fixed.
2012-11-27 toshinagata1964Copyright statement was updated to include FFTW.
2012-11-27 toshinagata1964Deleting bonds was causing bus error. Fixed.
2012-11-26 toshinagata1964MSW: when the console frame gets focus, all text was...
2012-11-23 toshinagata1964Building instructions and makefiles are updated.
2012-11-22 toshinagata1964Handling of GAMESS basis set is modified. The 'external...
2012-11-22 toshinagata1964Calculation of reciprocal cell parameter was incorrect...
2012-11-20 toshinagata1964Some wrong behavior of PME calculation is fixed.
2012-11-19 toshinagata1964An error in PME energy calculation is corrected. MDArea...
2012-11-19 toshinagata1964Error message in Molecule#atoms[] was not working....
2012-11-19 toshinagata1964MDArena#use_ewald, ewald_beta, ewald_grid, ewald_freq...
2012-11-14 toshinagata1964(Retry committing) Particle mesh Ewald (still in progress)
2012-11-14 toshinagata1964(Re-retry committing) expand_by_symmetry was not workin...
2012-11-14 toshinagata1964Particle mesh Ewald (still in progress)
2012-11-14 toshinagata1964(Retry committing) expand_by_symmetry was not working...
2012-11-14 toshinagata1964expand_by_symmetry was not working correctly when no...
2012-11-12 toshinagata1964Change in Antechamber/Resp dialog: molecular charge...
2012-11-12 toshinagata1964In calling a subprocess, a wait of 10 msec is inserted...
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