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