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MyAppCallback_lookupScriptMenu() is added to cmdtool_stubs.c, to allow compilation...
[molby/Molby.git] / MolLib /
2012-05-08 toshinagata1964MyAppCallback_lookupScriptMenu() is added to cmdtool_st... tree | commitdiff
2012-05-08 toshinagata1964Parameters now can be specified by using both explicit... tree | commitdiff
2012-05-08 toshinagata1964Parameter editing is under overhaul. tree | commitdiff
2012-05-07 toshinagata1964Handling of parameters are being improved, but still... tree | commitdiff
2012-05-07 toshinagata1964Handling of parameters is being reworked (still going on) tree | commitdiff
2012-05-07 toshinagata1964Restructure MolAction.c tree | commitdiff
2012-05-07 toshinagata1964Atom range specification for the vdw cutoff parameter... tree | commitdiff
2012-05-03 toshinagata1964Vector3D[] and Transform[] are modified to accept an... tree | commitdiff
2012-05-03 toshinagata1964Ruby: Kernel.lookup_menu is implemented. tree | commitdiff
2012-05-03 toshinagata1964LAMatrix.multiply was not working correctly when on... tree | commitdiff
2012-02-01 toshinagata1964Document is updated to include new graphic objects... tree | commitdiff
2012-01-31 toshinagata1964Ruby: Molecule#make_front, set_name, get_view_rotation... tree | commitdiff
2012-01-30 toshinagata1964Drawing custom graphics on the model view is being... tree | commitdiff
2012-01-30 toshinagata1964Ruby Dialog: modeless dialog is now implemented; interv... tree | commitdiff
2012-01-17 toshinagata1964Dialog#layout: the :align and :vertical_align options... tree | commitdiff
2012-01-17 toshinagata1964The separator line in the Ruby Dialog was not working... tree | commitdiff
2012-01-17 toshinagata1964Vector3D and Transform objects are converted to LAMatri... tree | commitdiff
2012-01-16 toshinagata1964LAMatrix#new errornously allows matrix with dimension... tree | commitdiff
2012-01-16 toshinagata1964AtomRef#molecule is implemented. tree | commitdiff
2012-01-13 toshinagata1964LAMatrix.multiply was not working correctly when the... tree | commitdiff
2011-12-22 toshinagata1964General matrix calculation (LAMatrix class in Ruby... tree | commitdiff
2011-12-21 toshinagata1964General matrix calculation is being implemented (still... tree | commitdiff
2011-12-07 toshinagata1964The structure Mat33 and Transform are now column-first... tree | commitdiff
2011-11-30 toshinagata1964Rms of crystallographic parameters (from the CIF file... tree | commitdiff
2011-11-26 toshinagata1964Some typical cyclic structures as well as solvent boxes... tree | commitdiff
2011-11-25 toshinagata1964Ruby: Molecule object is now unique to each open molecu... tree | commitdiff
2011-11-23 toshinagata1964Ring fusion (e.g. expanding benzene to naphthalene... tree | commitdiff
2011-11-22 toshinagata1964__FILE__ is now set to the script file during execute_s... tree | commitdiff
2011-10-31 toshinagata1964Some cleanup to suppress warnings tree | commitdiff
2011-10-31 toshinagata1964Ruby: Molecule#find_close_atoms is implemented. tree | commitdiff
2011-10-21 toshinagata1964Enable undo for importing pdb and dcd. tree | commitdiff
2011-10-19 toshinagata1964Import/export of dcd format is implemented. tree | commitdiff
2011-10-15 toshinagata1964On Windows, Molby::{Mbsf,Resource,Script}Path return... tree | commitdiff
2011-10-13 toshinagata1964Ruby: find_conflicts now exclude atom pairs separated... tree | commitdiff
2011-10-12 toshinagata1964Merging molecule was resulting in strange order of... tree | commitdiff
2011-10-12 toshinagata1964Occasional crash on merging molecules is fixed. (Duplic... tree | commitdiff
2011-10-12 toshinagata1964Some solvent box are included in Scripts/mbsf folder... tree | commitdiff
2011-10-12 toshinagata1964Setting external forces during MM/MD is implemented. tree | commitdiff
2011-10-11 toshinagata1964Special parameters with atom indices were not working... tree | commitdiff
2011-10-11 toshinagata1964Inserting/removing frames now work more consistently... tree | commitdiff
2011-10-05 toshinagata1964Atoms to be excluded from MM/MD calculations are now... tree | commitdiff
2011-10-05 toshinagata1964MM/MD calculation crashed when periodic cell is removed... tree | commitdiff
2011-09-30 toshinagata1964After MD run, coordinates are copied back to the molecu... tree | commitdiff
2011-09-30 toshinagata1964During alchemical perturbation, graphite energy/forces... tree | commitdiff
2011-09-28 toshinagata1964Implementation of alchemical perturbation seems to... tree | commitdiff
2011-09-27 toshinagata1964Experimental implementation of alchemical perturbation... tree | commitdiff
2011-09-26 toshinagata1964Improve crd/mdcrd import. tree | commitdiff
2011-09-26 toshinagata1964The \'r_eq14\' parameter was not editable in the proper... tree | commitdiff
2011-09-20 toshinagata1964Mac: use pthread instead of SIGALRM for interval timer... tree | commitdiff
2011-09-18 toshinagata1964Ruby: Molecule#dup now duplicates the unit cell, symmet... tree | commitdiff
2011-09-14 toshinagata1964AtomRef.exclusion causes bus error when the MDArena... tree | commitdiff
2011-09-13 toshinagata1964After loading the molecule, occupancy factors are check... tree | commitdiff
2011-09-07 toshinagata1964Remove some startup code when building a command line... tree | commitdiff
2011-09-07 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD-graphite... tree | commitdiff
2011-09-06 toshinagata1964Ruby command get_coord_from_frame(index, group=nil... tree | commitdiff
2011-09-06 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD calculations tree | commitdiff
2011-09-06 toshinagata1964Exclude atoms with occupancy = 0 from MM/MD calculations tree | commitdiff
2011-09-05 toshinagata1964The (experimental) command line version does not compil... tree | commitdiff
2011-09-01 toshinagata1964The MO info table is renamed to MO energy, and the... tree | commitdiff
2011-08-31 toshinagata1964MO import from GAMESS log file was broken tree | commitdiff
2011-08-31 toshinagata1964Fchk import: zero is accepted as the number of alpha... tree | commitdiff
2011-08-23 toshinagata1964Fchk import was broken (enbug in 0.5.6.1); fixed. tree | commitdiff
2011-08-19 toshinagata1964Final compile date/time is shown in the 'About' window tree | commitdiff
2011-08-05 toshinagata1964Occasional crash during minimization is fixed. tree | commitdiff
2011-08-03 toshinagata1964Loading GAMESS dat file now can be interrupted by ESC. tree | commitdiff
2011-08-02 toshinagata1964MO import from GAMESS log/dat files seems to be working... tree | commitdiff
2011-08-01 toshinagata1964MO import from GAMESS output is being implemented ... tree | commitdiff
2011-07-30 toshinagata1964Parameter cut was not working correctly when the select... tree | commitdiff
2011-07-28 toshinagata1964CIF import is implemented (maybe still incomplete) tree | commitdiff
2011-07-26 toshinagata1964Create New Parameter menu command is implemented. Molec... tree | commitdiff
2011-07-21 toshinagata1964Create New Atom menu command is being implemented ... tree | commitdiff
2011-07-21 toshinagata1964Importing frcmod is improved. Import AMBER Lib (in... tree | commitdiff
2011-07-20 toshinagata1964AMBER prmtop/inpcrd export is improved for periodic... tree | commitdiff
2011-07-07 toshinagata1964Copy/paste now handle parameters properly (hopefully... tree | commitdiff
2011-07-07 toshinagata1964.gets now appends a newline after the input string... tree | commitdiff
2011-07-06 toshinagata1964Ruby: stdin.{gets, readline} are implemented (other... tree | commitdiff
2011-07-05 toshinagata1964Molecule#{bond,angle,dihedral,improper,vdw}_par were... tree | commitdiff
2011-07-03 toshinagata1964Ruby: AtomRef#exclusion method was incorrectly calling... tree | commitdiff
2011-07-03 toshinagata1964Ruby: Molecule#bond_par, angle_par, dihedral_par, impro... tree | commitdiff
2011-07-02 toshinagata1964Gaff and parm99 parameters: the equilibrium bond length... tree | commitdiff
2011-04-26 toshinagata1964Importing GaussianW fch(k) files were not working becau... tree | commitdiff
2011-03-02 toshinagata1964Pasting MD parameters to a molecule with no parameters... tree | commitdiff
2010-06-03 toshinagata1964Crash in MM minimization when no unit cell is defined... tree | commitdiff
2010-05-31 toshinagata1964The nearest-neighbor lookup of nonbonding force calcula... tree | commitdiff
2010-05-18 toshinagata1964The view settings for mbsf files now can be restored... tree | commitdiff
2010-05-16 toshinagata1964The native format (mbsf) now preserves the display... tree | commitdiff
2010-05-12 toshinagata1964Calculation of vdw/elect forces was wrong when the... tree | commitdiff
2010-05-11 toshinagata1964Flags for 'show graphite' and 'show periodic images... tree | commitdiff
2010-05-08 toshinagata1964Handling of MD dialog is improved. MM/MD calculation... tree | commitdiff
2010-05-08 toshinagata1964The Ruby command wrap_unit_cell was not working correctly. tree | commitdiff
2010-05-07 toshinagata1964The MM/MD re-initialization after modification of coord... tree | commitdiff
2010-05-06 toshinagata1964Introduce MolbyResourcePath global constant, which... tree | commitdiff
2010-05-06 toshinagata1964Windows: the radio buttons with no explicit radio group... tree | commitdiff
2010-05-06 toshinagata1964Some parameter editing caused segmentation fault; fixed. tree | commitdiff
2010-05-06 toshinagata1964Undo of creating atoms caused segmentation fault; fixed. tree | commitdiff
2010-05-06 toshinagata1964Improved handling of DOSish file paths. The functions... tree | commitdiff
2010-05-06 toshinagata1964Importing GAMESS dat file was broken; fixed. tree | commitdiff
2010-04-25 toshinagata1964Mac: the text field in the list control remained on... tree | commitdiff
2010-04-23 toshinagata1964Improved handling of copy/cut/paste in the parameter... tree | commitdiff
2010-04-22 toshinagata1964Experimental command-line tool for Mac platform. tree | commitdiff
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