| 2012-07-05 |
toshinagata1964 | Experimental: trying to implement minimizaion of cell... |
commit | commitdiff | tree | snapshot |
| 2012-07-05 |
toshinagata1964 | Handling of flexible cells were still inconsistent. |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | Molecule#cell_flexibility and set_cell_flexibility... |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | Figures for the Ruby tutorial are added to the repository. |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | Handling of periodic box during MD is being reworked. |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | Ruby: Molecule#box= was not working as expected. Fixed. |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | Memory leak bugs are examined and removed. |
commit | commitdiff | tree | snapshot |
| 2012-07-04 |
toshinagata1964 | amend_by_symmetry in MD was still broken. Hopefully... |
commit | commitdiff | tree | snapshot |
| 2012-07-03 |
toshinagata1964 | Tutorial for the Ruby interpreter was (finally) written. |
commit | commitdiff | tree | snapshot |
| 2012-07-03 |
toshinagata1964 | amend_by_symmetry during MD run was causing crash.... |
commit | commitdiff | tree | snapshot |
| 2012-07-02 |
toshinagata1964 | Graphite potential calculation is further modified... |
commit | commitdiff | tree | snapshot |
| 2012-06-30 |
toshinagata1964 | When no molecule is open, Ruby scripts are evaluated... |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | Improving graphite potential calculation (hopefully... |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | Graphite potential calculation is improved. |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | The graphite potential calculation is being reworked. |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | The current working directory is set to the document... |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | The anisotropic parameters for the symmetry expanded... |
commit | commitdiff | tree | snapshot |
| 2012-06-29 |
toshinagata1964 | Pressure control and surface potential are removed... |
commit | commitdiff | tree | snapshot |
| 2012-06-28 |
toshinagata1964 | The load commands can now include error messages in... |
commit | commitdiff | tree | snapshot |
| 2012-06-28 |
toshinagata1964 | MD minimize was not working properly (especially for... |
commit | commitdiff | tree | snapshot |
| 2012-06-28 |
toshinagata1964 | Symmetry expansion in CIF import is improved. (May... |
commit | commitdiff | tree | snapshot |
| 2012-06-27 |
toshinagata1964 | Molecule#expand_by_symmetry now returns an array of... |
commit | commitdiff | tree | snapshot |
| 2012-06-27 |
toshinagata1964 | Molecule#symop_for_transform and transform_for_symop... |
commit | commitdiff | tree | snapshot |
| 2012-06-26 |
toshinagata1964 | Molecule#is_atom_hidden and AtomRef#hidden, hidden... |
commit | commitdiff | tree | snapshot |
| 2012-06-26 |
toshinagata1964 | Molecule#set/get_view_rotation: the sign of the angle... |
commit | commitdiff | tree | snapshot |
| 2012-06-25 |
toshinagata1964 | The restriction on the number of bonds (12) is removed... |
commit | commitdiff | tree | snapshot |
| 2012-06-22 |
toshinagata1964 | Include periodicity flags in the 'define unit cell... |
commit | commitdiff | tree | snapshot |
| 2012-06-21 |
toshinagata1964 | Problem on guessing UFF angle parameter was fixed. |
commit | commitdiff | tree | snapshot |
| 2012-06-21 |
toshinagata1964 | Fixed a very stupid bug in drawing unit cell. |
commit | commitdiff | tree | snapshot |
| 2012-06-21 |
toshinagata1964 | Handling of frame-specific cell parameters was very... |
commit | commitdiff | tree | snapshot |
| 2012-06-20 |
toshinagata1964 | Graphite potential in MM/MD gets recalculated much... |
commit | commitdiff | tree | snapshot |
| 2012-06-20 |
toshinagata1964 | Building verlet list seems to be working. Handling... |
commit | commitdiff | tree | snapshot |
| 2012-06-20 |
toshinagata1964 | Building verlet list is being reworked to implement... |
commit | commitdiff | tree | snapshot |
| 2012-06-20 |
toshinagata1964 | Symmetry operations from the CIF file were not read... |
commit | commitdiff | tree | snapshot |
| 2012-06-19 |
toshinagata1964 | Mac (only 10.6?): when the graphite display is on,... |
commit | commitdiff | tree | snapshot |
| 2012-06-18 |
toshinagata1964 | Version 0.6.3 |
commit | commitdiff | tree | snapshot |
| 2012-06-18 |
toshinagata1964 | Features of Molecule#cell and Molecule#box are modified... |
commit | commitdiff | tree | snapshot |
| 2012-06-18 |
toshinagata1964 | Mbsf format now retains anisotropic parameters and... |
commit | commitdiff | tree | snapshot |
| 2012-06-18 |
toshinagata1964 | Crash during creating bonds when ellipsoid display... |
commit | commitdiff | tree | snapshot |
| 2012-06-17 |
toshinagata1964 | Ruby: Molecule#fit_coordinates seems to be working... |
commit | commitdiff | tree | snapshot |
| 2012-06-16 |
toshinagata1964 | Ruby: Molecule#fit_coordinates is being implemented... |
commit | commitdiff | tree | snapshot |
| 2012-06-15 |
toshinagata1964 | LAMatrix#new, #zero, #submatrix now accept arguments... |
commit | commitdiff | tree | snapshot |
| 2012-06-14 |
toshinagata1964 | MM forces are updated even after 'run(0)' |
commit | commitdiff | tree | snapshot |
| 2012-06-14 |
toshinagata1964 | Load/save mbsf files were broken when atom type variant... |
commit | commitdiff | tree | snapshot |
| 2012-06-13 |
toshinagata1964 | The order of parameters in cmd_edit_local_parameter_in_... |
commit | commitdiff | tree | snapshot |
| 2012-06-07 |
toshinagata1964 | Molecule#transform, rotate, invert, etc. are now aware... |
commit | commitdiff | tree | snapshot |
| 2012-06-06 |
toshinagata1964 | MoleculeGetTransformForSymop() and MoleculeGetSymopForT... |
commit | commitdiff | tree | snapshot |
| 2012-06-06 |
toshinagata1964 | Ruby: AtomRef#symop can now be set from script. |
commit | commitdiff | tree | snapshot |
| 2012-06-06 |
toshinagata1964 | Ruby: Molecule#amend_by_symmetry is implemented. |
commit | commitdiff | tree | snapshot |
| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#set(get)_view_translation is now obsolet... |
commit | commitdiff | tree | snapshot |
| 2012-06-04 |
toshinagata1964 | Undoing change in revision 207 (forgot to commit differ... |
commit | commitdiff | tree | snapshot |
| 2012-06-04 |
toshinagata1964 | The order of the anisotropic thermal parameters is... |
commit | commitdiff | tree | snapshot |
| 2012-06-04 |
toshinagata1964 | Ruby: Molecule#hidden_atoms and Molecule#set_hidden_ato... |
commit | commitdiff | tree | snapshot |
| 2012-05-09 |
toshinagata1964 | The order of columns for MD parameters in the bond... |
commit | commitdiff | tree | snapshot |
| 2012-05-09 |
toshinagata1964 | UFF parameter guess is implemented. |
commit | commitdiff | tree | snapshot |
| 2012-05-09 |
toshinagata1964 | Molecule.neutralize was not working correctly. Fixed... |
commit | commitdiff | tree | snapshot |
| 2012-05-08 |
toshinagata1964 | Fix the position of load/unload global parameters dialog. |
commit | commitdiff | tree | snapshot |
| 2012-05-08 |
toshinagata1964 | Windows version does not display last build date in... |
commit | commitdiff | tree | snapshot |
| 2012-05-08 |
toshinagata1964 | MyAppCallback_lookupScriptMenu() is added to cmdtool_st... |
commit | commitdiff | tree | snapshot |
| 2012-05-08 |
toshinagata1964 | Parameters now can be specified by using both explicit... |
commit | commitdiff | tree | snapshot |
| 2012-05-08 |
toshinagata1964 | Parameter editing is under overhaul. |
commit | commitdiff | tree | snapshot |
| 2012-05-07 |
toshinagata1964 | Handling of parameters are being improved, but still... |
commit | commitdiff | tree | snapshot |
| 2012-05-07 |
toshinagata1964 | Handling of parameters is being reworked (still going on) |
commit | commitdiff | tree | snapshot |
| 2012-05-07 |
toshinagata1964 | Restructure MolAction.c |
commit | commitdiff | tree | snapshot |
| 2012-05-07 |
toshinagata1964 | Atom range specification for the vdw cutoff parameter... |
commit | commitdiff | tree | snapshot |
| 2012-05-03 |
toshinagata1964 | LAMatrix.html was added to the repository. |
commit | commitdiff | tree | snapshot |
| 2012-05-03 |
toshinagata1964 | Vector3D[] and Transform[] are modified to accept an... |
commit | commitdiff | tree | snapshot |
| 2012-05-03 |
toshinagata1964 | Load Script Menu caused crash when no window is open... |
commit | commitdiff | tree | snapshot |
| 2012-05-03 |
toshinagata1964 | Ruby: Kernel.lookup_menu is implemented. |
commit | commitdiff | tree | snapshot |
| 2012-05-03 |
toshinagata1964 | LAMatrix.multiply was not working correctly when on... |
commit | commitdiff | tree | snapshot |
| 2012-05-02 |
toshinagata1964 | Execute Script command was broken. Fixed. |
commit | commitdiff | tree | snapshot |
| 2012-03-29 |
toshinagata1964 | CIF import may fail when _geom_bond_site_symmetry_1... |
commit | commitdiff | tree | snapshot |
| 2012-03-01 |
toshinagata1964 | Figures for the document are added |
commit | commitdiff | tree | snapshot |
| 2012-02-26 |
toshinagata1964 | Document was written for the collaboration with other... |
commit | commitdiff | tree | snapshot |
| 2012-02-26 |
toshinagata1964 | .log and .out are both accepted as the extension of... |
commit | commitdiff | tree | snapshot |
| 2012-02-11 |
toshinagata1964 | update_version.rb is improved. |
commit | commitdiff | tree | snapshot |
| 2012-02-11 |
toshinagata1964 | version 0.6.2 |
commit | commitdiff | tree | snapshot |
| 2012-02-01 |
toshinagata1964 | Document is updated to include new graphic objects... |
commit | commitdiff | tree | snapshot |
| 2012-01-31 |
toshinagata1964 | Ruby: Molecule#make_front, set_name, get_view_rotation... |
commit | commitdiff | tree | snapshot |
| 2012-01-30 |
toshinagata1964 | Drawing custom graphics on the model view is being... |
commit | commitdiff | tree | snapshot |
| 2012-01-30 |
toshinagata1964 | Ruby Dialog: modeless dialog is now implemented; interv... |
commit | commitdiff | tree | snapshot |
| 2012-01-17 |
toshinagata1964 | Dialog#layout: the :align and :vertical_align options... |
commit | commitdiff | tree | snapshot |
| 2012-01-17 |
toshinagata1964 | The separator line in the Ruby Dialog was not working... |
commit | commitdiff | tree | snapshot |
| 2012-01-17 |
toshinagata1964 | Vector3D and Transform objects are converted to LAMatri... |
commit | commitdiff | tree | snapshot |
| 2012-01-16 |
toshinagata1964 | LAMatrix#new errornously allows matrix with dimension... |
commit | commitdiff | tree | snapshot |
| 2012-01-16 |
toshinagata1964 | AtomRef#molecule is implemented. |
commit | commitdiff | tree | snapshot |
| 2012-01-16 |
toshinagata1964 | Empty Console Window command is implemented. |
commit | commitdiff | tree | snapshot |
| 2012-01-13 |
toshinagata1964 | LAMatrix.multiply was not working correctly when the... |
commit | commitdiff | tree | snapshot |
| 2011-12-22 |
toshinagata1964 | General matrix calculation (LAMatrix class in Ruby... |
commit | commitdiff | tree | snapshot |
| 2011-12-21 |
toshinagata1964 | Some of the document figures are updated. |
commit | commitdiff | tree | snapshot |
| 2011-12-21 |
toshinagata1964 | General matrix calculation is being implemented (still... |
commit | commitdiff | tree | snapshot |
| 2011-12-20 |
toshinagata1964 | Figures in the MD section of the document are added. |
commit | commitdiff | tree | snapshot |
| 2011-12-20 |
toshinagata1964 | In the document, navigation between the English/Japanes... |
commit | commitdiff | tree | snapshot |
| 2011-12-20 |
toshinagata1964 | Document for MD calculation is written. |
commit | commitdiff | tree | snapshot |
| 2011-12-19 |
toshinagata1964 | The "log file" field is set to blank unless explicitly... |
commit | commitdiff | tree | snapshot |
| 2011-12-19 |
toshinagata1964 | Document for MD calculation is being written. |
commit | commitdiff | tree | snapshot |
| 2011-12-07 |
toshinagata1964 | The structure Mat33 and Transform are now column-first... |
commit | commitdiff | tree | snapshot |
| 2011-11-30 |
toshinagata1964 | Rms of crystallographic parameters (from the CIF file... |
commit | commitdiff | tree | snapshot |
| 2011-11-30 |
toshinagata1964 | Memo update for 0.6.1; also updated molby.iss for build... |
commit | commitdiff | tree | snapshot |
| 2011-11-26 |
toshinagata1964 | Version 0.6.1 |
commit | commitdiff | tree | snapshot |
| next |
OSDN Git Service
