| 2012-09-01 |
toshinagata1964 | Handling of view-related attributes of Molecule is...
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commit | commitdiff | tree |
| 2012-09-01 |
toshinagata1964 | Ruby documents for pi-anchors are written.
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commit | commitdiff | tree |
| 2012-08-30 |
toshinagata1964 | Pi-metal bonds are being implemented (molecular mechanics...
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commit | commitdiff | tree |
| 2012-08-22 |
toshinagata1964 | Experimental feature: dummy atoms to represent pi-metal...
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commit | commitdiff | tree |
| 2012-08-20 |
toshinagata1964 | Some fields in md_arena were not properly copied when...
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commit | commitdiff | tree |
| 2012-08-20 |
toshinagata1964 | 'Show Graphite' command was using wrong C-C bond length...
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commit | commitdiff | tree |
| 2012-08-12 |
toshinagata1964 | Some unused fields of Molecule were removed.
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commit | commitdiff | tree |
| 2012-08-12 |
toshinagata1964 | LAMatrix singular value decomposition was implemented.
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commit | commitdiff | tree |
| 2012-08-12 |
toshinagata1964 | Ruby: create_graphic was not working correctly when...
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commit | commitdiff | tree |
| 2012-08-04 |
toshinagata1964 | Loading multiple-frame mbsf sometimes fails to load...
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commit | commitdiff | tree |
| 2012-08-03 |
toshinagata1964 | Some cleanup of the internal structure; unused fields...
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commit | commitdiff | tree |
| 2012-08-02 |
toshinagata1964 | Property table can now list the unit cell parameters.
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commit | commitdiff | tree |
| 2012-08-02 |
toshinagata1964 | Documents for Dialog#show, Dialog#hide are written...
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commit | commitdiff | tree |
| 2012-07-26 |
toshinagata1964 | Cell minimization was not working correctly when no...
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commit | commitdiff | tree |
| 2012-07-25 |
toshinagata1964 | MDArena#prepare was not working correctly when unit...
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commit | commitdiff | tree |
| 2012-07-25 |
toshinagata1964 | Handling of selection from Ruby script was partially...
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commit | commitdiff | tree |
| 2012-07-24 |
toshinagata1964 | Best fit plane dialog was behaving strangely Fixed.
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commit | commitdiff | tree |
| 2012-07-24 |
toshinagata1964 | Handling of Molecule object was not consistent. Hopefully...
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commit | commitdiff | tree |
| 2012-07-24 |
toshinagata1964 | Export ORTEP (improved) and best-fit plane calculations...
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commit | commitdiff | tree |
| 2012-07-24 |
toshinagata1964 | The revision number is displayed in the about dialog...
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commit | commitdiff | tree |
| 2012-07-24 |
toshinagata1964 | Copy/paste of molecules was broken when it had atoms...
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commit | commitdiff | tree |
| 2012-07-20 |
toshinagata1964 | Documents for some missing Ruby methods are written.
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commit | commitdiff | tree |
| 2012-07-06 |
toshinagata1964 | Cell minimization is improved (hopefully...)
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commit | commitdiff | tree |
| 2012-07-05 |
toshinagata1964 | Remove printf() for debugging cell minimization
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commit | commitdiff | tree |
| 2012-07-05 |
toshinagata1964 | Implemented minimization of cell parameters. Looks...
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commit | commitdiff | tree |
| 2012-07-05 |
toshinagata1964 | Experimental: trying to implement minimizaion of cell...
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commit | commitdiff | tree |
| 2012-07-05 |
toshinagata1964 | Handling of flexible cells were still inconsistent.
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | Molecule#cell_flexibility and set_cell_flexibility...
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | Figures for the Ruby tutorial are added to the repository.
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | Handling of periodic box during MD is being reworked.
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | Ruby: Molecule#box= was not working as expected. Fixed.
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | Memory leak bugs are examined and removed.
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commit | commitdiff | tree |
| 2012-07-04 |
toshinagata1964 | amend_by_symmetry in MD was still broken. Hopefully...
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commit | commitdiff | tree |
| 2012-07-03 |
toshinagata1964 | Tutorial for the Ruby interpreter was (finally) written.
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commit | commitdiff | tree |
| 2012-07-03 |
toshinagata1964 | amend_by_symmetry during MD run was causing crash....
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commit | commitdiff | tree |
| 2012-07-02 |
toshinagata1964 | Graphite potential calculation is further modified...
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commit | commitdiff | tree |
| 2012-06-30 |
toshinagata1964 | When no molecule is open, Ruby scripts are evaluated...
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | Improving graphite potential calculation (hopefully...
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | Graphite potential calculation is improved.
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | The graphite potential calculation is being reworked.
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | The current working directory is set to the document...
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | The anisotropic parameters for the symmetry expanded...
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commit | commitdiff | tree |
| 2012-06-29 |
toshinagata1964 | Pressure control and surface potential are removed...
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commit | commitdiff | tree |
| 2012-06-28 |
toshinagata1964 | The load commands can now include error messages in...
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commit | commitdiff | tree |
| 2012-06-28 |
toshinagata1964 | MD minimize was not working properly (especially for...
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commit | commitdiff | tree |
| 2012-06-28 |
toshinagata1964 | Symmetry expansion in CIF import is improved. (May...
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commit | commitdiff | tree |
| 2012-06-27 |
toshinagata1964 | Molecule#expand_by_symmetry now returns an array of...
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commit | commitdiff | tree |
| 2012-06-27 |
toshinagata1964 | Molecule#symop_for_transform and transform_for_symop...
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commit | commitdiff | tree |
| 2012-06-26 |
toshinagata1964 | Molecule#is_atom_hidden and AtomRef#hidden, hidden...
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commit | commitdiff | tree |
| 2012-06-26 |
toshinagata1964 | Molecule#set/get_view_rotation: the sign of the angle...
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commit | commitdiff | tree |
| 2012-06-25 |
toshinagata1964 | The restriction on the number of bonds (12) is removed...
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commit | commitdiff | tree |
| 2012-06-22 |
toshinagata1964 | Include periodicity flags in the 'define unit cell...
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commit | commitdiff | tree |
| 2012-06-21 |
toshinagata1964 | Problem on guessing UFF angle parameter was fixed.
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commit | commitdiff | tree |
| 2012-06-21 |
toshinagata1964 | Fixed a very stupid bug in drawing unit cell.
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commit | commitdiff | tree |
| 2012-06-21 |
toshinagata1964 | Handling of frame-specific cell parameters was very...
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commit | commitdiff | tree |
| 2012-06-20 |
toshinagata1964 | Graphite potential in MM/MD gets recalculated much...
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commit | commitdiff | tree |
| 2012-06-20 |
toshinagata1964 | Building verlet list seems to be working. Handling...
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commit | commitdiff | tree |
| 2012-06-20 |
toshinagata1964 | Building verlet list is being reworked to implement...
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commit | commitdiff | tree |
| 2012-06-20 |
toshinagata1964 | Symmetry operations from the CIF file were not read...
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commit | commitdiff | tree |
| 2012-06-19 |
toshinagata1964 | Mac (only 10.6?): when the graphite display is on,...
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commit | commitdiff | tree |
| 2012-06-18 |
toshinagata1964 | Version 0.6.3
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commit | commitdiff | tree |
| 2012-06-18 |
toshinagata1964 | Features of Molecule#cell and Molecule#box are modified...
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commit | commitdiff | tree |
| 2012-06-18 |
toshinagata1964 | Mbsf format now retains anisotropic parameters and...
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commit | commitdiff | tree |
| 2012-06-18 |
toshinagata1964 | Crash during creating bonds when ellipsoid display...
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commit | commitdiff | tree |
| 2012-06-17 |
toshinagata1964 | Ruby: Molecule#fit_coordinates seems to be working...
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commit | commitdiff | tree |
| 2012-06-16 |
toshinagata1964 | Ruby: Molecule#fit_coordinates is being implemented...
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commit | commitdiff | tree |
| 2012-06-15 |
toshinagata1964 | LAMatrix#new, #zero, #submatrix now accept arguments...
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commit | commitdiff | tree |
| 2012-06-14 |
toshinagata1964 | MM forces are updated even after 'run(0)'
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commit | commitdiff | tree |
| 2012-06-14 |
toshinagata1964 | Load/save mbsf files were broken when atom type variants...
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commit | commitdiff | tree |
| 2012-06-13 |
toshinagata1964 | The order of parameters in cmd_edit_local_parameter_in_mainv...
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commit | commitdiff | tree |
| 2012-06-07 |
toshinagata1964 | Molecule#transform, rotate, invert, etc. are now aware...
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commit | commitdiff | tree |
| 2012-06-06 |
toshinagata1964 | MoleculeGetTransformForSymop() and MoleculeGetSymopForTransf...
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commit | commitdiff | tree |
| 2012-06-06 |
toshinagata1964 | Ruby: AtomRef#symop can now be set from script.
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commit | commitdiff | tree |
| 2012-06-06 |
toshinagata1964 | Ruby: Molecule#amend_by_symmetry is implemented.
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commit | commitdiff | tree |
| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#set(get)_view_translation is now obsolete...
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commit | commitdiff | tree |
| 2012-06-04 |
toshinagata1964 | Undoing change in revision 207 (forgot to commit different...
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commit | commitdiff | tree |
| 2012-06-04 |
toshinagata1964 | The order of the anisotropic thermal parameters is...
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commit | commitdiff | tree |
| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#hidden_atoms and Molecule#set_hidden_atoms...
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commit | commitdiff | tree |
| 2012-05-09 |
toshinagata1964 | The order of columns for MD parameters in the bond...
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commit | commitdiff | tree |
| 2012-05-09 |
toshinagata1964 | UFF parameter guess is implemented.
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commit | commitdiff | tree |
| 2012-05-09 |
toshinagata1964 | Molecule.neutralize was not working correctly. Fixed...
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commit | commitdiff | tree |
| 2012-05-08 |
toshinagata1964 | Fix the position of load/unload global parameters dialog.
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commit | commitdiff | tree |
| 2012-05-08 |
toshinagata1964 | Windows version does not display last build date in...
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commit | commitdiff | tree |
| 2012-05-08 |
toshinagata1964 | MyAppCallback_lookupScriptMenu() is added to cmdtool_stubs...
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commit | commitdiff | tree |
| 2012-05-08 |
toshinagata1964 | Parameters now can be specified by using both explicit...
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commit | commitdiff | tree |
| 2012-05-08 |
toshinagata1964 | Parameter editing is under overhaul.
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commit | commitdiff | tree |
| 2012-05-07 |
toshinagata1964 | Handling of parameters are being improved, but still...
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commit | commitdiff | tree |
| 2012-05-07 |
toshinagata1964 | Handling of parameters is being reworked (still going on)
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commit | commitdiff | tree |
| 2012-05-07 |
toshinagata1964 | Restructure MolAction.c
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commit | commitdiff | tree |
| 2012-05-07 |
toshinagata1964 | Atom range specification for the vdw cutoff parameter...
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commit | commitdiff | tree |
| 2012-05-03 |
toshinagata1964 | LAMatrix.html was added to the repository.
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commit | commitdiff | tree |
| 2012-05-03 |
toshinagata1964 | Vector3D[] and Transform[] are modified to accept an...
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commit | commitdiff | tree |
| 2012-05-03 |
toshinagata1964 | Load Script Menu caused crash when no window is open...
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commit | commitdiff | tree |
| 2012-05-03 |
toshinagata1964 | Ruby: Kernel.lookup_menu is implemented.
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commit | commitdiff | tree |
| 2012-05-03 |
toshinagata1964 | LAMatrix.multiply was not working correctly when on...
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commit | commitdiff | tree |
| 2012-05-02 |
toshinagata1964 | Execute Script command was broken. Fixed.
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commit | commitdiff | tree |
| 2012-03-29 |
toshinagata1964 | CIF import may fail when _geom_bond_site_symmetry_1...
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commit | commitdiff | tree |
| 2012-03-01 |
toshinagata1964 | Figures for the document are added
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commit | commitdiff | tree |
| 2012-02-26 |
toshinagata1964 | Document was written for the collaboration with other...
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commit | commitdiff | tree |
| 2012-02-26 |
toshinagata1964 | .log and .out are both accepted as the extension of...
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commit | commitdiff | tree |
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