| 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...
|
commit | commitdiff | tree |
| 2012-05-07 |
toshinagata1964 | Handling of parameters is being reworked (still going on)
|
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 |
| 2012-02-11 |
toshinagata1964 | update_version.rb is improved.
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commit | commitdiff | tree |
| 2012-02-11 |
toshinagata1964 | version 0.6.2
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commit | commitdiff | tree |
| 2012-02-01 |
toshinagata1964 | Document is updated to include new graphic objects...
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commit | commitdiff | tree |
| 2012-01-31 |
toshinagata1964 | Ruby: Molecule#make_front, set_name, get_view_rotation...
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commit | commitdiff | tree |
| 2012-01-30 |
toshinagata1964 | Drawing custom graphics on the model view is being...
|
commit | commitdiff | tree |
| 2012-01-30 |
toshinagata1964 | Ruby Dialog: modeless dialog is now implemented; interval...
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commit | commitdiff | tree |
| 2012-01-17 |
toshinagata1964 | Dialog#layout: the :align and :vertical_align options...
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commit | commitdiff | tree |
| 2012-01-17 |
toshinagata1964 | The separator line in the Ruby Dialog was not working...
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commit | commitdiff | tree |
| 2012-01-17 |
toshinagata1964 | Vector3D and Transform objects are converted to LAMatrix...
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commit | commitdiff | tree |
| 2012-01-16 |
toshinagata1964 | LAMatrix#new errornously allows matrix with dimension...
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commit | commitdiff | tree |
| 2012-01-16 |
toshinagata1964 | AtomRef#molecule is implemented.
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commit | commitdiff | tree |
| 2012-01-16 |
toshinagata1964 | Empty Console Window command is implemented.
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commit | commitdiff | tree |
| 2012-01-13 |
toshinagata1964 | LAMatrix.multiply was not working correctly when the...
|
commit | commitdiff | tree |
| 2011-12-22 |
toshinagata1964 | General matrix calculation (LAMatrix class in Ruby...
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commit | commitdiff | tree |
| 2011-12-21 |
toshinagata1964 | Some of the document figures are updated.
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commit | commitdiff | tree |
| 2011-12-21 |
toshinagata1964 | General matrix calculation is being implemented (still...
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commit | commitdiff | tree |
| 2011-12-20 |
toshinagata1964 | Figures in the MD section of the document are added.
|
commit | commitdiff | tree |
| 2011-12-20 |
toshinagata1964 | In the document, navigation between the English/Japanese...
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commit | commitdiff | tree |
| 2011-12-20 |
toshinagata1964 | Document for MD calculation is written.
|
commit | commitdiff | tree |
| 2011-12-19 |
toshinagata1964 | The "log file" field is set to blank unless explicitly...
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commit | commitdiff | tree |
| 2011-12-19 |
toshinagata1964 | Document for MD calculation is being written.
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commit | commitdiff | tree |
| 2011-12-07 |
toshinagata1964 | The structure Mat33 and Transform are now column-first...
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commit | commitdiff | tree |
| 2011-11-30 |
toshinagata1964 | Rms of crystallographic parameters (from the CIF file...
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commit | commitdiff | tree |
| 2011-11-30 |
toshinagata1964 | Memo update for 0.6.1; also updated molby.iss for building...
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commit | commitdiff | tree |
| 2011-11-26 |
toshinagata1964 | Version 0.6.1
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commit | commitdiff | tree |
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