2014-03-23 |
toshinagata1964 | Commands in the Xtal menus are improved and documented. |
tree | commitdiff |
2014-03-21 |
toshinagata1964 | Obsolete codes are removed |
tree | commitdiff |
2014-03-21 |
toshinagata1964 | Property table can now show fractional coordinates |
tree | commitdiff |
2014-03-20 |
toshinagata1964 | Space group table look all right. Export Graphics is... |
tree | commitdiff |
2014-03-18 |
toshinagata1964 | Define Symmetry dialog is being implemented (not done... |
tree | commitdiff |
2014-03-17 |
toshinagata1964 | Printing is implemented (still experimental) |
tree | commitdiff |
2014-03-17 |
toshinagata1964 | Line/Ball-and-stick/Space-filling modes are implemented |
tree | commitdiff |
2014-03-16 |
toshinagata1964 | 'Show' menu is renamed to 'View'. 'Show...' menus are... |
tree | commitdiff |
2014-03-15 |
toshinagata1964 | Script menu handling is improved |
tree | commitdiff |
2014-03-14 |
toshinagata1964 | Command line version is made buildable again |
tree | commitdiff |
2014-03-14 |
toshinagata1964 | Atomic weights are handled as floats instead of doubles... |
tree | commitdiff |
2014-03-12 |
toshinagata1964 | Bitmap drawing is implemented in Molby::Dialog (experim... |
tree | commitdiff |
2014-03-11 |
toshinagata1964 | Ruby Dialog was causing crash when Dialog#listen was... |
tree | commitdiff |
2014-03-10 |
toshinagata1964 | Ruby Dialog: behavior of the close button is improved... |
tree | commitdiff |
2014-03-04 |
toshinagata1964 | Build on MinGW/Windows now succeeds |
tree | commitdiff |
2014-02-27 |
toshinagata1964 | expand_by_symmetry was causing strange bonds when expan... |
tree | commitdiff |
2014-02-16 |
toshinagata1964 | $stdout.flush and $stderr.flush are implemented; nothin... |
tree | commitdiff |
2014-02-16 |
toshinagata1964 | 'proc' is replaced with 'lambda' for creating a Proc... |
tree | commitdiff |
2014-02-16 |
toshinagata1964 | IntGroup#index is implemented |
tree | commitdiff |
2014-02-15 |
toshinagata1964 | Ruby: IntGroup#inspect caused crash when the result... |
tree | commitdiff |
2014-02-15 |
toshinagata1964 | Ruby: Molecule#expand_by_symmetry is modified so that... |
tree | commitdiff |
2014-02-04 |
toshinagata1964 | Mac: the ruby console does not work well when the Input... |
tree | commitdiff |
2014-02-04 |
toshinagata1964 | Behavior of Ruby Console is improved. |
tree | commitdiff |
2014-02-03 |
toshinagata1964 | Embed ruby 2.0 instead of 1.8.7 |
tree | commitdiff |
2014-01-30 |
toshinagata1964 | Ruby: Molecule#find_close_atoms is modified so that... |
tree | commitdiff |
2014-01-15 |
toshinagata1964 | Cleanup Makefiles. Molby_command (on Mac) build target... |
tree | commitdiff |
2014-01-14 |
toshinagata1964 | Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets... |
tree | commitdiff |
2013-11-16 |
toshinagata1964 | Best fit planes dialog is modified again; the dialog... |
tree | commitdiff |
2013-11-16 |
toshinagata1964 | Bond/Angle with Sigma dialog is overhauled (now working). |
tree | commitdiff |
2013-11-15 |
toshinagata1964 | Minimizing structure including pi-anchor atoms was... |
tree | commitdiff |
2013-11-14 |
toshinagata1964 | Handling of pi-anchor atoms is slightly modified |
tree | commitdiff |
2013-11-01 |
toshinagata1964 | Kernel#call_subprocess and Molecule#call_subprocess_asy... |
tree | commitdiff |
2013-11-01 |
toshinagata1964 | Kernel#call_subprocess and Molecule#call_subprocess_asy... |
tree | commitdiff |
2013-10-21 |
toshinagata1964 | RubyDialogCallback_drawEllipse is modified so as to... |
tree | commitdiff |
2013-10-20 |
toshinagata1964 | Graphic drawing is implemented in Ruby Dialog (on_paint... |
tree | commitdiff |
2013-10-14 |
toshinagata1964 | Exclusion of non-bonding interaction in pi-metal system... |
tree | commitdiff |
2013-10-14 |
toshinagata1964 | Undo after md_arena.run(0) was not working. Fixed. |
tree | commitdiff |
2013-10-11 |
toshinagata1964 | Guess UFF parameters dialog is improved. |
tree | commitdiff |
2013-09-27 |
toshinagata1964 | Some missing functions in cmdtool_stubs.c are implemented. |
tree | commitdiff |
2013-09-27 |
toshinagata1964 | Ruby dialog capabilities are added: the items can now... |
tree | commitdiff |
2013-09-21 |
toshinagata1964 | Ruby: IntGroup#== is modified so that it returns false... |
tree | commitdiff |
2013-08-27 |
toshinagata1964 | Vdw and Vdw-pair parameters can now have atom indices... |
tree | commitdiff |
2013-08-10 |
toshinagata1964 | Implement load/save/set/get of bond order information. |
tree | commitdiff |
2013-08-10 |
toshinagata1964 | Molecule#fragments is implemented. Molecule#fragments... |
tree | commitdiff |
2013-08-10 |
toshinagata1964 | Table (ListCtrl) support in Molby::Dialog is improved. |
tree | commitdiff |
2013-08-10 |
toshinagata1964 | ParameterRef#eps14 wrongly returned eps instead of... |
tree | commitdiff |
2013-08-06 |
toshinagata1964 | Ruby Dialog: implement popup menu for table cells |
tree | commitdiff |
2013-08-05 |
toshinagata1964 | Ruby: IntGroup#==, IntGroup#each_range are implemented |
tree | commitdiff |
2013-08-05 |
toshinagata1964 | Event handling of the Ruby dialog is improved. |
tree | commitdiff |
2013-08-02 |
toshinagata1964 | Popup menu on the list control is implemented (also... |
tree | commitdiff |
2013-08-02 |
toshinagata1964 | On calling antechamber, atom names are modified so... |
tree | commitdiff |
2013-08-01 |
toshinagata1964 | Resize of the Ruby Dialog is improved (still experiment... |
tree | commitdiff |
2013-07-26 |
toshinagata1964 | Manual resizing of Ruby Dialog is implemented (still... |
tree | commitdiff |
2013-07-25 |
toshinagata1964 | The Ruby Dialog can now be set as resizable. (Automatic... |
tree | commitdiff |
2013-07-25 |
toshinagata1964 | 'Table' (aka. 'List') control is implemented in Molby... |
tree | commitdiff |
2013-06-29 |
toshinagata1964 | A progress indicator (and stop button) for subprocesses... |
tree | commitdiff |
2013-06-29 |
toshinagata1964 | Ruby: Molecule#call_subprocess_async and Kernel#backquo... |
tree | commitdiff |
2013-06-17 |
toshinagata1964 | Molecule#remove_improper is modified so that it can... |
tree | commitdiff |
2013-06-13 |
toshinagata1964 | Kernel#show_console_window, Kernel#hide_console_window... |
tree | commitdiff |
2013-06-13 |
toshinagata1964 | Kernel#call_subprocess can now accept a callback procedure. |
tree | commitdiff |
2013-06-11 |
toshinagata1964 | r356 modification was not correct. Updated. |
tree | commitdiff |
2013-06-11 |
toshinagata1964 | Importing PM3/GAMESS log is improved. (The atomic infor... |
tree | commitdiff |
2013-01-21 |
toshinagata1964 | GAMESS log containing F and G type orbitals can now... |
tree | commitdiff |
2012-11-27 |
toshinagata1964 | Bond creation is updated so that duplicate bond/angle... |
tree | commitdiff |
2012-11-27 |
toshinagata1964 | Copyright statement was updated to include FFTW. |
tree | commitdiff |
2012-11-27 |
toshinagata1964 | Deleting bonds was causing bus error. Fixed. |
tree | commitdiff |
2012-11-23 |
toshinagata1964 | Building instructions and makefiles are updated. |
tree | commitdiff |
2012-11-22 |
toshinagata1964 | Calculation of reciprocal cell parameter was incorrect... |
tree | commitdiff |
2012-11-20 |
toshinagata1964 | Some wrong behavior of PME calculation is fixed. |
tree | commitdiff |
2012-11-19 |
toshinagata1964 | An error in PME energy calculation is corrected. MDArea... |
tree | commitdiff |
2012-11-19 |
toshinagata1964 | Error message in Molecule#atoms[] was not working.... |
tree | commitdiff |
2012-11-19 |
toshinagata1964 | MDArena#use_ewald, ewald_beta, ewald_grid, ewald_freq... |
tree | commitdiff |
2012-11-14 |
toshinagata1964 | (Retry committing) Particle mesh Ewald (still in progress) |
tree | commitdiff |
2012-11-14 |
toshinagata1964 | (Re-retry committing) expand_by_symmetry was not workin... |
tree | commitdiff |
2012-11-14 |
toshinagata1964 | Particle mesh Ewald (still in progress) |
tree | commitdiff |
2012-11-14 |
toshinagata1964 | (Retry committing) expand_by_symmetry was not working... |
tree | commitdiff |
2012-11-14 |
toshinagata1964 | expand_by_symmetry was not working correctly when no... |
tree | commitdiff |
2012-11-11 |
toshinagata1964 | Particle Mesh Ewald is being implemented (still not... |
tree | commitdiff |
2012-11-01 |
toshinagata1964 | When new bonds are created, angles of type X-##-##... |
tree | commitdiff |
2012-11-01 |
toshinagata1964 | Parameter lookup was not working correctly when neither... |
tree | commitdiff |
2012-11-01 |
toshinagata1964 | '==' operator is defined for Parameter, ParameterRef... |
tree | commitdiff |
2012-10-31 |
toshinagata1964 | Parameter#lookup (and related methods) can now look... |
tree | commitdiff |
2012-10-31 |
toshinagata1964 | History functionality is available in the Ruby console... |
tree | commitdiff |
2012-10-31 |
toshinagata1964 | Parameter methods angle, angles, bond, bonds, etc.... |
tree | commitdiff |
2012-10-31 |
toshinagata1964 | Symmetry expanded atoms now can be selected by mouse... |
tree | commitdiff |
2012-10-30 |
toshinagata1964 | Expanding by symmetry (and loading cif file) was not... |
tree | commitdiff |
2012-10-30 |
toshinagata1964 | Attribute table was not updated correctly after revert... |
tree | commitdiff |
2012-10-30 |
toshinagata1964 | Atom renumbering was not working for pi anchor table... |
tree | commitdiff |
2012-10-30 |
toshinagata1964 | Two subsequent dragging of different atoms were causing... |
tree | commitdiff |
2012-10-29 |
toshinagata1964 | Remove previous pi-anchor codes. |
tree | commitdiff |
2012-10-29 |
toshinagata1964 | Pi anchor implementation is done. |
tree | commitdiff |
2012-10-29 |
toshinagata1964 | New implementation of pi anchor atoms is close to compl... |
tree | commitdiff |
2012-10-28 |
toshinagata1964 | New create_pi_anchor method is implemented (but not... |
tree | commitdiff |
2012-10-28 |
toshinagata1964 | The load/save codes are rewritten, so that the error... |
tree | commitdiff |
2012-10-26 |
toshinagata1964 | Another implementation of pi-anchor is being tried... |
tree | commitdiff |
2012-10-25 |
toshinagata1964 | Pi atom positions are now cached within the piatom... |
tree | commitdiff |
2012-10-25 |
toshinagata1964 | Merging/unmerging molecules are extensively revised... |
tree | commitdiff |
2012-10-24 |
toshinagata1964 | Connection check is rewritten to include the pi anchor... |
tree | commitdiff |
2012-10-24 |
toshinagata1964 | Pi anchor force calculation is being implemented (not... |
tree | commitdiff |
2012-10-23 |
toshinagata1964 | The third argument to Molecule#get_coord_from_frame... |
tree | commitdiff |
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