| 2011-08-23 |
toshinagata1964 | Memo update for version 0.5.6.2
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commit | commitdiff | tree |
| 2011-08-23 |
toshinagata1964 | Fchk import was broken (enbug in 0.5.6.1); fixed.
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commit | commitdiff | tree |
| 2011-08-19 |
toshinagata1964 | Final compile date/time is shown in the 'About' window
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commit | commitdiff | tree |
| 2011-08-19 |
toshinagata1964 | Importing mdcrd was still broken. Fixed (hopefully)
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commit | commitdiff | tree |
| 2011-08-05 |
toshinagata1964 | Fix mdcrd import to allow coordinates using full 8...
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commit | commitdiff | tree |
| 2011-08-05 |
toshinagata1964 | Occasional crash during minimization is fixed.
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commit | commitdiff | tree |
| 2011-08-05 |
toshinagata1964 | memo update
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | memo update
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | Loading GAMESS dat file now can be interrupted by ESC.
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | Occasionally, termination of the subprocess (like antechambe...
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | Disable close box of RubyDialogFrame.
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | On importing frcmod, atom type with a single character...
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | Mac: config.h/Makefiles for AmberTools is modified...
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commit | commitdiff | tree |
| 2011-08-03 |
toshinagata1964 | ruby-1.8.7-p160.tar.gz is added (required for building)
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commit | commitdiff | tree |
| 2011-08-02 |
toshinagata1964 | MO import from GAMESS log/dat files seems to be working...
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commit | commitdiff | tree |
| 2011-08-01 |
toshinagata1964 | MO import from GAMESS output is being implemented ...
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commit | commitdiff | tree |
| 2011-07-30 |
toshinagata1964 | Memo update.
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commit | commitdiff | tree |
| 2011-07-30 |
toshinagata1964 | Add missing document figures.
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commit | commitdiff | tree |
| 2011-07-30 |
toshinagata1964 | Parameter cut was not working correctly when the selection...
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commit | commitdiff | tree |
| 2011-07-30 |
toshinagata1964 | Step 5 of the tutorial is complete.
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commit | commitdiff | tree |
| 2011-07-29 |
toshinagata1964 | Import AMBER Frcmod menu command is implemented.
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commit | commitdiff | tree |
| 2011-07-28 |
toshinagata1964 | The property table section of the tutorial is being...
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commit | commitdiff | tree |
| 2011-07-28 |
toshinagata1964 | CIF import is implemented (maybe still incomplete)
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commit | commitdiff | tree |
| 2011-07-26 |
toshinagata1964 | Create New Parameter menu command is implemented. MoleculePr...
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commit | commitdiff | tree |
| 2011-07-21 |
toshinagata1964 | Create New Atom menu command is being implemented ...
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commit | commitdiff | tree |
| 2011-07-21 |
toshinagata1964 | Document is being updated (the property table section)
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commit | commitdiff | tree |
| 2011-07-21 |
toshinagata1964 | Importing frcmod is improved. Import AMBER Lib (in...
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commit | commitdiff | tree |
| 2011-07-20 |
toshinagata1964 | Importing mdcrd with periodic box now works correctly.
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commit | commitdiff | tree |
| 2011-07-20 |
toshinagata1964 | AMBER prmtop/inpcrd export is improved for periodic...
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commit | commitdiff | tree |
| 2011-07-07 |
toshinagata1964 | Copy/paste now handle parameters properly (hopefully...
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commit | commitdiff | tree |
| 2011-07-07 |
toshinagata1964 | .gets now appends a newline after the input string...
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commit | commitdiff | tree |
| 2011-07-06 |
toshinagata1964 | Ruby: stdin.{gets, readline} are implemented (other...
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commit | commitdiff | tree |
| 2011-07-06 |
toshinagata1964 | Importing Amber mdcrd files is implemented.
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commit | commitdiff | tree |
| 2011-07-05 |
toshinagata1964 | Molecule#{bond,angle,dihedral,improper,vdw}_par were...
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commit | commitdiff | tree |
| 2011-07-03 |
toshinagata1964 | Ruby: AtomRef#exclusion method was incorrectly calling...
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commit | commitdiff | tree |
| 2011-07-03 |
toshinagata1964 | Ruby: Molecule#bond_par, angle_par, dihedral_par, improper_p...
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commit | commitdiff | tree |
| 2011-07-02 |
toshinagata1964 | Gaff and parm99 parameters: the equilibrium bond lengths...
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commit | commitdiff | tree |
| 2011-04-26 |
toshinagata1964 | Memo update.
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commit | commitdiff | tree |
| 2011-04-26 |
toshinagata1964 | Importing GaussianW fch(k) files were not working because...
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commit | commitdiff | tree |
| 2011-03-02 |
toshinagata1964 | Pasting MD parameters to a molecule with no parameters...
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commit | commitdiff | tree |
| 2010-06-03 |
toshinagata1964 | Crash in MM minimization when no unit cell is defined...
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commit | commitdiff | tree |
| 2010-06-02 |
toshinagata1964 | Xcode project: GCC4.0 is explicitly designated (necessary...
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commit | commitdiff | tree |
| 2010-05-31 |
toshinagata1964 | The nearest-neighbor lookup of nonbonding force calculation...
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commit | commitdiff | tree |
| 2010-05-18 |
toshinagata1964 | The view settings for mbsf files now can be restored...
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commit | commitdiff | tree |
| 2010-05-17 |
toshinagata1964 | wxSources/docview.cpp is added to the project. Trackball...
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commit | commitdiff | tree |
| 2010-05-16 |
toshinagata1964 | The native format (mbsf) now preserves the display...
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commit | commitdiff | tree |
| 2010-05-14 |
toshinagata1964 | Inconsistency between the Xcode project settings and...
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commit | commitdiff | tree |
| 2010-05-12 |
toshinagata1964 | Calculation of vdw/elect forces was wrong when the...
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commit | commitdiff | tree |
| 2010-05-11 |
toshinagata1964 | Flags for 'show graphite' and 'show periodic images...
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commit | commitdiff | tree |
| 2010-05-08 |
toshinagata1964 | Handling of MD dialog is improved. MM/MD calculation...
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commit | commitdiff | tree |
| 2010-05-08 |
toshinagata1964 | The Ruby command wrap_unit_cell was not working correctly.
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commit | commitdiff | tree |
| 2010-05-07 |
toshinagata1964 | The MM/MD re-initialization after modification of coordinate...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Version 0.5.4
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Introduce MolbyResourcePath global constant, which...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Windows: the radio buttons with no explicit radio group...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Some parameter editing caused segmentation fault; fixed.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Undo of creating atoms caused segmentation fault; fixed.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Improved handling of DOSish file paths. The functions...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Importing GAMESS dat file was broken; fixed.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Added instruction for building and copying resp.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Removal of double-call of wxDocument::Close() (revision...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Undo is kept enabled during 'molload' and related calls...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Add hydrogen was broken; fixed.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Ambertools dialog is improved.
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Automatic generation of internal coordinates (NZVAR...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | The amber11 binaries are now built in the project directory...
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commit | commitdiff | tree |
| 2010-05-06 |
toshinagata1964 | Windows: interrupting the subprocess (antechamber etc...
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commit | commitdiff | tree |
| 2010-04-25 |
toshinagata1964 | Mac: the text field in the list control remained on...
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commit | commitdiff | tree |
| 2010-04-24 |
toshinagata1964 | Work around the wxWidgets bug where wxDocument::Close...
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commit | commitdiff | tree |
| 2010-04-23 |
toshinagata1964 | Improved handling of copy/cut/paste in the parameter...
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commit | commitdiff | tree |
| 2010-04-22 |
toshinagata1964 | Experimental command-line tool for Mac platform.
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commit | commitdiff | tree |
| 2010-04-22 |
toshinagata1964 | The MM/MD engine was not aware of modification of coordinate...
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commit | commitdiff | tree |
| 2010-03-31 |
toshinagata1964 | Frames can now have variable unit cell parameters.
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commit | commitdiff | tree |
| 2010-03-20 |
toshinagata1964 | Version 0.5.2
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commit | commitdiff | tree |
| 2010-03-20 |
toshinagata1964 | Some features of Dialog class are modified; Dialog...
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commit | commitdiff | tree |
| 2010-03-20 |
toshinagata1964 | Reference for the Ruby extension is written
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commit | commitdiff | tree |
| 2010-03-13 |
toshinagata1964 | DialogItem class is implemented; Dialog#item and Dialog...
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commit | commitdiff | tree |
| 2010-03-09 |
toshinagata1964 | The class RubyDialog is renamed to Dialog. All Molby...
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commit | commitdiff | tree |
| 2010-03-02 |
toshinagata1964 | MDArena#keys is implemented. MessageOutput class is...
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commit | commitdiff | tree |
| 2010-03-01 |
toshinagata1964 | The MDArena attributes 'transient_temperature' and...
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commit | commitdiff | tree |
| 2010-02-28 |
toshinagata1964 | The DISPATOM parameters are renamed to ELEMENT, to...
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commit | commitdiff | tree |
| 2010-02-24 |
toshinagata1964 | Parameter#bond, angle, etc. are no longer implemented...
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commit | commitdiff | tree |
| 2010-02-23 |
toshinagata1964 | The methods of Parameter and ParEnumerable change features...
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commit | commitdiff | tree |
| 2010-02-23 |
toshinagata1964 | The Ruby command reorder_atoms is renamed to renumber_atoms.
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commit | commitdiff | tree |
| 2010-02-23 |
toshinagata1964 | The AtomRef methods cr/cx/cy/cz were made obsolete...
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commit | commitdiff | tree |
| 2010-02-23 |
toshinagata1964 | The return value of Ruby command loadout was incorrect...
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commit | commitdiff | tree |
| 2010-02-20 |
toshinagata1964 | Ruby commands find_angles and find_dihedrals are made...
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commit | commitdiff | tree |
| 2010-02-18 |
toshinagata1964 | Cleaning up the rdoc comments.
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commit | commitdiff | tree |
| 2010-02-18 |
toshinagata1964 | Cleaning up the rdoc comments.
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commit | commitdiff | tree |
| 2010-02-18 |
toshinagata1964 | Ruby commands now handle angles in degree, rather than...
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commit | commitdiff | tree |
| 2010-02-18 |
toshinagata1964 | Ruby commands now handle the angles (rotation etc....
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commit | commitdiff | tree |
| 2010-02-06 |
toshinagata1964 | Documents: Molecular Mechanics section is written.
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commit | commitdiff | tree |
| 2010-02-03 |
toshinagata1964 | The multithread handling for MM/MD is improved.
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commit | commitdiff | tree |
| 2010-02-02 |
toshinagata1964 | Undo was not working after running antechamber. Fixed.
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commit | commitdiff | tree |
| 2010-01-31 |
toshinagata1964 | AmberTools-1.3 (part) is bundled.
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commit | commitdiff | tree |
| 2010-01-23 |
toshinagata1964 | the xcode project files <username>.{mode1v3,pbxuser...
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commit | commitdiff | tree |
| 2010-01-23 |
toshinagata1964 | Ruby command: ParEnumerable.lookup now accepts atom...
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commit | commitdiff | tree |
| 2010-01-21 |
toshinagata1964 | initial import
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commit | commitdiff | tree |
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