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molby/Molby.git
2014-03-11 toshinagata1964The text edit in MyListCtrl seems weird. Hopefully... commit | commitdiff | tree | snapshot
2014-03-11 toshinagata1964Auto resizing of Ruby Dialog is sometimes strange.... commit | commitdiff | tree | snapshot
2014-03-10 toshinagata1964'show ortep' command is being implemented (not complete... commit | commitdiff | tree | snapshot
2014-03-10 toshinagata1964ORTEP3 is modified so that it does not require input... commit | commitdiff | tree | snapshot
2014-03-10 toshinagata1964Ruby Dialog: behavior of the close button is improved... commit | commitdiff | tree | snapshot
2014-03-10 toshinagata1964Ruby Dialog: behavior of the close button is improved... commit | commitdiff | tree | snapshot
2014-03-05 toshinagata1964ORTEP3 is included in the source tree (with modification) commit | commitdiff | tree | snapshot
2014-03-05 toshinagata1964In 'Guess UFF Parameters' dialog, the button name is... commit | commitdiff | tree | snapshot
2014-03-04 toshinagata1964Build on MinGW/Windows now succeeds commit | commitdiff | tree | snapshot
2014-03-01 toshinagata1964Create packing diagram can be invoked only if unit... commit | commitdiff | tree | snapshot
2014-03-01 toshinagata1964Create packing diagram is improved so that the expansio... commit | commitdiff | tree | snapshot
2014-02-27 toshinagata1964Create crystal packing is implemented commit | commitdiff | tree | snapshot
2014-02-27 toshinagata1964expand_by_symmetry was causing strange bonds when expan... commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964'Create MO Cube' does not work when the molecule has... commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964'Define Unit Cell' dialog is modified. It now allows... commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964$stdout.flush and $stderr.flush are implemented; nothin... commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964'proc' is replaced with 'lambda' for creating a Proc... commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964IntGroup#index is implemented commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964Complete by symmetry is implemented commit | commitdiff | tree | snapshot
2014-02-16 toshinagata1964Menu item ID must be positive in wxCocoa commit | commitdiff | tree | snapshot
2014-02-15 toshinagata1964Ruby: IntGroup#inspect caused crash when the result... commit | commitdiff | tree | snapshot
2014-02-15 toshinagata1964Ruby: Molecule#expand_by_symmetry is modified so that... commit | commitdiff | tree | snapshot
2014-02-04 toshinagata1964Mac: the ruby console does not work well when the Input... commit | commitdiff | tree | snapshot
2014-02-04 toshinagata1964Behavior of Ruby Console is improved. commit | commitdiff | tree | snapshot
2014-02-03 toshinagata1964Embed ruby 2.0 instead of 1.8.7 commit | commitdiff | tree | snapshot
2014-01-30 toshinagata1964The document of Molecule#find_close_atoms is slightly... commit | commitdiff | tree | snapshot
2014-01-30 toshinagata1964Ruby: Molecule#find_close_atoms is modified so that... commit | commitdiff | tree | snapshot
2014-01-15 toshinagata1964Cleanup Makefiles. Molby_command (on Mac) build target... commit | commitdiff | tree | snapshot
2014-01-14 toshinagata1964Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets... commit | commitdiff | tree | snapshot
2013-11-19 toshinagata1964Big change in GUI appearance on MSW; the MDI interface... commit | commitdiff | tree | snapshot
2013-11-19 toshinagata1964Documents for mopac6 and nbo3.0 are included in the... commit | commitdiff | tree | snapshot
2013-11-16 toshinagata1964Best fit planes dialog is modified again; the dialog... commit | commitdiff | tree | snapshot
2013-11-16 toshinagata1964Bond/Angle with Sigma dialog is overhauled (now working). commit | commitdiff | tree | snapshot
2013-11-15 toshinagata1964Bond/Angle with Sigma dialog is being overhauled. ... commit | commitdiff | tree | snapshot
2013-11-15 toshinagata1964Best-fit plane dialog is now modeless, which allows... commit | commitdiff | tree | snapshot
2013-11-15 toshinagata1964Minimizing structure including pi-anchor atoms was... commit | commitdiff | tree | snapshot
2013-11-14 toshinagata1964Handling of pi-anchor atoms is slightly modified commit | commitdiff | tree | snapshot
2013-11-13 toshinagata1964In cif import, the parentheses in the atom names will... commit | commitdiff | tree | snapshot
2013-11-13 toshinagata1964Guess UFF Parameters Dialog is updated commit | commitdiff | tree | snapshot
2013-11-13 toshinagata1964Input files were not recognized when the end-of-line... commit | commitdiff | tree | snapshot
2013-11-09 toshinagata1964'Create MOPAC input' is implemented commit | commitdiff | tree | snapshot
2013-11-01 toshinagata1964MOPAC 6.06 is included in the binary commit | commitdiff | tree | snapshot
2013-11-01 toshinagata1964Kernel#call_subprocess and Molecule#call_subprocess_asy... commit | commitdiff | tree | snapshot
2013-11-01 toshinagata1964Kernel#call_subprocess and Molecule#call_subprocess_asy... commit | commitdiff | tree | snapshot
2013-10-21 toshinagata1964RubyDialogCallback_drawEllipse is modified so as to... commit | commitdiff | tree | snapshot
2013-10-21 toshinagata1964The ellipse drawn by draw_ellipse was out of position... commit | commitdiff | tree | snapshot
2013-10-21 toshinagata1964cyclohexane-twist-boat.mbsf is added to the repository commit | commitdiff | tree | snapshot
2013-10-20 toshinagata1964Graphic drawing is implemented in Ruby Dialog (on_paint... commit | commitdiff | tree | snapshot
2013-10-20 toshinagata1964The built-in structures of cycloalkanes are updated commit | commitdiff | tree | snapshot
2013-10-16 toshinagata1964'Guess UFF Parameters' dialog is further improved ... commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964Guessed dihedral force in metallocene systems were... commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964Exclusion of non-bonding interaction in pi-metal system... commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964Undo after md_arena.run(0) was not working. Fixed. commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964angle and dihedral settings in 'Guess UFF Parameters... commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964Guess of metal-pi bond parameter is implemented (angle... commit | commitdiff | tree | snapshot
2013-10-14 toshinagata1964The document for the MD parameter description was incor... commit | commitdiff | tree | snapshot
2013-10-11 toshinagata1964Guess UFF parameters dialog is improved. commit | commitdiff | tree | snapshot
2013-10-11 toshinagata1964Documents are updated to include new Ruby methods. commit | commitdiff | tree | snapshot
2013-09-27 toshinagata1964Some missing functions in cmdtool_stubs.c are implemented. commit | commitdiff | tree | snapshot
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
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