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molby/Molby.git
2011-10-12 toshinagata1964Merging molecule was resulting in strange order of... commit | commitdiff | tree | snapshot
2011-10-12 toshinagata1964Occasional crash on merging molecules is fixed. (Duplic... commit | commitdiff | tree | snapshot
2011-10-12 toshinagata1964Some solvent box are included in Scripts/mbsf folder... commit | commitdiff | tree | snapshot
2011-10-12 toshinagata1964rotate_with_axis now can accept atom indices or names... commit | commitdiff | tree | snapshot
2011-10-12 toshinagata1964Setting external forces during MM/MD is implemented. commit | commitdiff | tree | snapshot
2011-10-11 toshinagata1964Special parameters with atom indices were not working... commit | commitdiff | tree | snapshot
2011-10-11 toshinagata1964Inserting/removing frames now work more consistently... commit | commitdiff | tree | snapshot
2011-10-05 toshinagata1964Atoms to be excluded from MM/MD calculations are now... commit | commitdiff | tree | snapshot
2011-10-05 toshinagata1964MM/MD calculation crashed when periodic cell is removed... commit | commitdiff | tree | snapshot
2011-09-30 toshinagata1964Makefile: "make depend" now creates a dependency file... commit | commitdiff | tree | snapshot
2011-09-30 toshinagata1964On windows, Molecule#path, Molecule#dir does not work... commit | commitdiff | tree | snapshot
2011-09-30 toshinagata1964On windows, Molecule#path, Molecule#dir does not work... commit | commitdiff | tree | snapshot
2011-09-30 toshinagata1964After MD run, coordinates are copied back to the molecu... commit | commitdiff | tree | snapshot
2011-09-30 toshinagata1964During alchemical perturbation, graphite energy/forces... commit | commitdiff | tree | snapshot
2011-09-28 toshinagata1964Implementation of alchemical perturbation seems to... commit | commitdiff | tree | snapshot
2011-09-27 toshinagata1964Experimental implementation of alchemical perturbation... commit | commitdiff | tree | snapshot
2011-09-26 toshinagata1964Improve crd/mdcrd import. commit | commitdiff | tree | snapshot
2011-09-26 toshinagata1964The \'r_eq14\' parameter was not editable in the proper... commit | commitdiff | tree | snapshot
2011-09-26 toshinagata1964Crash occurs when a Ruby exception is raised while... commit | commitdiff | tree | snapshot
2011-09-20 toshinagata1964Mac: use pthread instead of SIGALRM for interval timer... commit | commitdiff | tree | snapshot
2011-09-18 toshinagata1964Ruby: Molecule#dup now duplicates the unit cell, symmet... commit | commitdiff | tree | snapshot
2011-09-15 toshinagata1964Remove \'build xxxxxxxx\' string from the version descr... commit | commitdiff | tree | snapshot
2011-09-14 toshinagata1964AtomRef.exclusion causes bus error when the MDArena... commit | commitdiff | tree | snapshot
2011-09-13 toshinagata1964After loading the molecule, occupancy factors are check... commit | commitdiff | tree | snapshot
2011-09-07 toshinagata1964Remove some startup code when building a command line... commit | commitdiff | tree | snapshot
2011-09-07 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD-graphite... commit | commitdiff | tree | snapshot
2011-09-06 toshinagata1964Ruby command get_coord_from_frame(index, group=nil... commit | commitdiff | tree | snapshot
2011-09-06 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD calculations commit | commitdiff | tree | snapshot
2011-09-06 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD calculations commit | commitdiff | tree | snapshot
2011-09-05 toshinagata1964The (experimental) command line version does not compil... commit | commitdiff | tree | snapshot
2011-09-01 toshinagata1964The MO info table is renamed to MO energy, and the... commit | commitdiff | tree | snapshot
2011-08-31 toshinagata1964MO import from GAMESS log file was broken commit | commitdiff | tree | snapshot
2011-08-31 toshinagata1964Fchk import: zero is accepted as the number of alpha... commit | commitdiff | tree | snapshot
2011-08-23 toshinagata1964Memo update for version 0.5.6.2 commit | commitdiff | tree | snapshot
2011-08-23 toshinagata1964Fchk import was broken (enbug in 0.5.6.1); fixed. commit | commitdiff | tree | snapshot
2011-08-19 toshinagata1964Final compile date/time is shown in the 'About' window commit | commitdiff | tree | snapshot
2011-08-19 toshinagata1964Importing mdcrd was still broken. Fixed (hopefully) commit | commitdiff | tree | snapshot
2011-08-05 toshinagata1964Fix mdcrd import to allow coordinates using full 8... commit | commitdiff | tree | snapshot
2011-08-05 toshinagata1964Occasional crash during minimization is fixed. commit | commitdiff | tree | snapshot
2011-08-05 toshinagata1964memo update commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964memo update commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964Loading GAMESS dat file now can be interrupted by ESC. commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964Occasionally, termination of the subprocess (like antec... commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964Disable close box of RubyDialogFrame. commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964On importing frcmod, atom type with a single character... commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964Mac: config.h/Makefiles for AmberTools is modified... commit | commitdiff | tree | snapshot
2011-08-03 toshinagata1964ruby-1.8.7-p160.tar.gz is added (required for building) commit | commitdiff | tree | snapshot
2011-08-02 toshinagata1964MO import from GAMESS log/dat files seems to be working... commit | commitdiff | tree | snapshot
2011-08-01 toshinagata1964MO import from GAMESS output is being implemented ... commit | commitdiff | tree | snapshot
2011-07-30 toshinagata1964Memo update. commit | commitdiff | tree | snapshot
2011-07-30 toshinagata1964Add missing document figures. commit | commitdiff | tree | snapshot
2011-07-30 toshinagata1964Parameter cut was not working correctly when the select... commit | commitdiff | tree | snapshot
2011-07-30 toshinagata1964Step 5 of the tutorial is complete. commit | commitdiff | tree | snapshot
2011-07-29 toshinagata1964Import AMBER Frcmod menu command is implemented. commit | commitdiff | tree | snapshot
2011-07-28 toshinagata1964The property table section of the tutorial is being... commit | commitdiff | tree | snapshot
2011-07-28 toshinagata1964CIF import is implemented (maybe still incomplete) commit | commitdiff | tree | snapshot
2011-07-26 toshinagata1964Create New Parameter menu command is implemented. Molec... commit | commitdiff | tree | snapshot
2011-07-21 toshinagata1964Create New Atom menu command is being implemented ... commit | commitdiff | tree | snapshot
2011-07-21 toshinagata1964Document is being updated (the property table section) commit | commitdiff | tree | snapshot
2011-07-21 toshinagata1964Importing frcmod is improved. Import AMBER Lib (in... commit | commitdiff | tree | snapshot
2011-07-20 toshinagata1964Importing mdcrd with periodic box now works correctly. commit | commitdiff | tree | snapshot
2011-07-20 toshinagata1964AMBER prmtop/inpcrd export is improved for periodic... commit | commitdiff | tree | snapshot
2011-07-07 toshinagata1964Copy/paste now handle parameters properly (hopefully... commit | commitdiff | tree | snapshot
2011-07-07 toshinagata1964.gets now appends a newline after the input string... commit | commitdiff | tree | snapshot
2011-07-06 toshinagata1964Ruby: stdin.{gets, readline} are implemented (other... commit | commitdiff | tree | snapshot
2011-07-06 toshinagata1964Importing Amber mdcrd files is implemented. commit | commitdiff | tree | snapshot
2011-07-05 toshinagata1964Molecule#{bond,angle,dihedral,improper,vdw}_par were... commit | commitdiff | tree | snapshot
2011-07-03 toshinagata1964Ruby: AtomRef#exclusion method was incorrectly calling... commit | commitdiff | tree | snapshot
2011-07-03 toshinagata1964Ruby: Molecule#bond_par, angle_par, dihedral_par, impro... commit | commitdiff | tree | snapshot
2011-07-02 toshinagata1964Gaff and parm99 parameters: the equilibrium bond length... commit | commitdiff | tree | snapshot
2011-04-26 toshinagata1964Memo update. commit | commitdiff | tree | snapshot
2011-04-26 toshinagata1964Importing GaussianW fch(k) files were not working becau... commit | commitdiff | tree | snapshot
2011-03-02 toshinagata1964Pasting MD parameters to a molecule with no parameters... commit | commitdiff | tree | snapshot
2010-06-03 toshinagata1964Crash in MM minimization when no unit cell is defined... commit | commitdiff | tree | snapshot
2010-06-02 toshinagata1964Xcode project: GCC4.0 is explicitly designated (necessa... commit | commitdiff | tree | snapshot
2010-05-31 toshinagata1964The nearest-neighbor lookup of nonbonding force calcula... commit | commitdiff | tree | snapshot
2010-05-18 toshinagata1964The view settings for mbsf files now can be restored... commit | commitdiff | tree | snapshot
2010-05-17 toshinagata1964wxSources/docview.cpp is added to the project. Trackbal... commit | commitdiff | tree | snapshot
2010-05-16 toshinagata1964The native format (mbsf) now preserves the display... commit | commitdiff | tree | snapshot
2010-05-14 toshinagata1964Inconsistency between the Xcode project settings and... commit | commitdiff | tree | snapshot
2010-05-12 toshinagata1964Calculation of vdw/elect forces was wrong when the... commit | commitdiff | tree | snapshot
2010-05-11 toshinagata1964Flags for 'show graphite' and 'show periodic images... commit | commitdiff | tree | snapshot
2010-05-08 toshinagata1964Handling of MD dialog is improved. MM/MD calculation... commit | commitdiff | tree | snapshot
2010-05-08 toshinagata1964The Ruby command wrap_unit_cell was not working correctly. commit | commitdiff | tree | snapshot
2010-05-07 toshinagata1964The MM/MD re-initialization after modification of coord... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Version 0.5.4 commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Introduce MolbyResourcePath global constant, which... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Windows: the radio buttons with no explicit radio group... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Some parameter editing caused segmentation fault; fixed. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Undo of creating atoms caused segmentation fault; fixed. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Improved handling of DOSish file paths. The functions... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Importing GAMESS dat file was broken; fixed. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Added instruction for building and copying resp. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Removal of double-call of wxDocument::Close() (revision... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Undo is kept enabled during 'molload' and related calls... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Add hydrogen was broken; fixed. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Ambertools dialog is improved. commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964generation of internal coordinates (NZVAR=#{3n-5})... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964The amber11 binaries are now built in the project direc... commit | commitdiff | tree | snapshot
2010-05-06 toshinagata1964Windows: interrupting the subprocess (antechamber etc... commit | commitdiff | tree | snapshot
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