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molby/Molby.git
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
2010-04-25 toshinagata1964Mac: the text field in the list control remained on... commit | commitdiff | tree | snapshot
2010-04-24 toshinagata1964Work around the wxWidgets bug where wxDocument::Close... commit | commitdiff | tree | snapshot
2010-04-23 toshinagata1964Improved handling of copy/cut/paste in the parameter... commit | commitdiff | tree | snapshot
2010-04-22 toshinagata1964Experimental command-line tool for Mac platform. commit | commitdiff | tree | snapshot
2010-04-22 toshinagata1964The MM/MD engine was not aware of modification of coord... commit | commitdiff | tree | snapshot
2010-03-31 toshinagata1964Frames can now have variable unit cell parameters. commit | commitdiff | tree | snapshot
2010-03-20 toshinagata1964Version 0.5.2 commit | commitdiff | tree | snapshot
2010-03-20 toshinagata1964Some features of Dialog class are modified; Dialog... commit | commitdiff | tree | snapshot
2010-03-20 toshinagata1964Reference for the Ruby extension is written commit | commitdiff | tree | snapshot
2010-03-13 toshinagata1964DialogItem class is implemented; Dialog#item and Dialog... commit | commitdiff | tree | snapshot
2010-03-09 toshinagata1964The class RubyDialog is renamed to Dialog. All Molby... commit | commitdiff | tree | snapshot
2010-03-02 toshinagata1964MDArena#keys is implemented. MessageOutput class is... commit | commitdiff | tree | snapshot
2010-03-01 toshinagata1964The MDArena attributes 'transient_temperature' and... commit | commitdiff | tree | snapshot
2010-02-28 toshinagata1964The DISPATOM parameters are renamed to ELEMENT, to... commit | commitdiff | tree | snapshot
2010-02-24 toshinagata1964Parameter#bond, angle, etc. are no longer implemented... commit | commitdiff | tree | snapshot
2010-02-23 toshinagata1964The methods of Parameter and ParEnumerable change featu... commit | commitdiff | tree | snapshot
2010-02-23 toshinagata1964The Ruby command reorder_atoms is renamed to renumber_a... commit | commitdiff | tree | snapshot
2010-02-23 toshinagata1964The AtomRef methods cr/cx/cy/cz were made obsolete... commit | commitdiff | tree | snapshot
2010-02-23 toshinagata1964The return value of Ruby command loadout was incorrect... commit | commitdiff | tree | snapshot
2010-02-20 toshinagata1964Ruby commands find_angles and find_dihedrals are made... commit | commitdiff | tree | snapshot
2010-02-18 toshinagata1964Cleaning up the rdoc comments. commit | commitdiff | tree | snapshot
2010-02-18 toshinagata1964Cleaning up the rdoc comments. commit | commitdiff | tree | snapshot
2010-02-18 toshinagata1964Ruby commands now handle angles in degree, rather than... commit | commitdiff | tree | snapshot
2010-02-18 toshinagata1964Ruby commands now handle the angles (rotation etc.... commit | commitdiff | tree | snapshot
2010-02-06 toshinagata1964Documents: Molecular Mechanics section is written. commit | commitdiff | tree | snapshot
2010-02-03 toshinagata1964The multithread handling for MM/MD is improved. commit | commitdiff | tree | snapshot
2010-02-02 toshinagata1964Undo was not working after running antechamber. Fixed. commit | commitdiff | tree | snapshot
2010-01-31 toshinagata1964AmberTools-1.3 (part) is bundled. commit | commitdiff | tree | snapshot
2010-01-23 toshinagata1964the xcode project files <username>.{mode1v3,pbxuser... commit | commitdiff | tree | snapshot
2010-01-23 toshinagata1964Ruby command: ParEnumerable.lookup now accepts atom... commit | commitdiff | tree | snapshot
2010-01-21 toshinagata1964initial import commit | commitdiff | tree | snapshot
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