git.osdn.net Git - molby/Molby.git/history

2012-10-11	toshinagata1964	Filter mode (development continued)	blob \| commitdiff
2012-09-01	toshinagata1964	Handling of view-related attributes of Molecule is...	blob \| commitdiff \| diff to current
2012-08-22	toshinagata1964	Experimental feature: dummy atoms to represent pi-metal...	blob \| commitdiff \| diff to current
2012-08-12	toshinagata1964	Some unused fields of Molecule were removed.	blob \| commitdiff \| diff to current
2012-08-04	toshinagata1964	Loading multiple-frame mbsf sometimes fails to load...	blob \| commitdiff \| diff to current
2012-08-03	toshinagata1964	Some cleanup of the internal structure; unused fields...	blob \| commitdiff \| diff to current
2012-08-02	toshinagata1964	Property table can now list the unit cell parameters.	blob \| commitdiff \| diff to current
2012-07-26	toshinagata1964	Cell minimization was not working correctly when no...	blob \| commitdiff \| diff to current
2012-07-25	toshinagata1964	MDArena#prepare was not working correctly when unit...	blob \| commitdiff \| diff to current
2012-07-24	toshinagata1964	Handling of Molecule object was not consistent. Hopeful...	blob \| commitdiff \| diff to current
2012-07-24	toshinagata1964	The revision number is displayed in the about dialog...	blob \| commitdiff \| diff to current
2012-07-24	toshinagata1964	Copy/paste of molecules was broken when it had atoms...	blob \| commitdiff \| diff to current
2012-07-06	toshinagata1964	Cell minimization is improved (hopefully...)	blob \| commitdiff \| diff to current
2012-07-05	toshinagata1964	Handling of flexible cells were still inconsistent.	blob \| commitdiff \| diff to current
2012-07-04	toshinagata1964	Molecule#cell_flexibility and set_cell_flexibility...	blob \| commitdiff \| diff to current
2012-07-04	toshinagata1964	Memory leak bugs are examined and removed.	blob \| commitdiff \| diff to current
2012-06-29	toshinagata1964	The anisotropic parameters for the symmetry expanded...	blob \| commitdiff \| diff to current
2012-06-27	toshinagata1964	Molecule#expand_by_symmetry now returns an array of...	blob \| commitdiff \| diff to current
2012-06-27	toshinagata1964	Molecule#symop_for_transform and transform_for_symop...	blob \| commitdiff \| diff to current
2012-06-25	toshinagata1964	The restriction on the number of bonds (12) is removed...	blob \| commitdiff \| diff to current
2012-06-21	toshinagata1964	Handling of frame-specific cell parameters was very...	blob \| commitdiff \| diff to current
2012-06-20	toshinagata1964	Building verlet list seems to be working. Handling...	blob \| commitdiff \| diff to current
2012-06-18	toshinagata1964	Features of Molecule#cell and Molecule#box are modified...	blob \| commitdiff \| diff to current
2012-06-18	toshinagata1964	Mbsf format now retains anisotropic parameters and...	blob \| commitdiff \| diff to current
2012-06-14	toshinagata1964	Load/save mbsf files were broken when atom type variant...	blob \| commitdiff \| diff to current
2012-06-07	toshinagata1964	Molecule#transform, rotate, invert, etc. are now aware...	blob \| commitdiff \| diff to current
2012-06-06	toshinagata1964	MoleculeGetTransformForSymop() and MoleculeGetSymopForT...	blob \| commitdiff \| diff to current
2012-06-04	toshinagata1964	The order of the anisotropic thermal parameters is...	blob \| commitdiff \| diff to current
2012-05-08	toshinagata1964	Parameters now can be specified by using both explicit...	blob \| commitdiff \| diff to current
2012-05-08	toshinagata1964	Parameter editing is under overhaul.	blob \| commitdiff \| diff to current
2012-05-07	toshinagata1964	Handling of parameters are being improved, but still...	blob \| commitdiff \| diff to current
2012-05-07	toshinagata1964	Handling of parameters is being reworked (still going on)	blob \| commitdiff \| diff to current
2011-12-07	toshinagata1964	The structure Mat33 and Transform are now column-first...	blob \| commitdiff \| diff to current
2011-11-30	toshinagata1964	Rms of crystallographic parameters (from the CIF file...	blob \| commitdiff \| diff to current
2011-11-26	toshinagata1964	Some typical cyclic structures as well as solvent boxes...	blob \| commitdiff \| diff to current
2011-11-25	toshinagata1964	Ruby: Molecule object is now unique to each open molecu...	blob \| commitdiff \| diff to current
2011-10-31	toshinagata1964	Ruby: Molecule#find_close_atoms is implemented.	blob \| commitdiff \| diff to current
2011-10-21	toshinagata1964	Enable undo for importing pdb and dcd.	blob \| commitdiff \| diff to current
2011-10-19	toshinagata1964	Import/export of dcd format is implemented.	blob \| commitdiff \| diff to current
2011-10-12	toshinagata1964	Merging molecule was resulting in strange order of...	blob \| commitdiff \| diff to current
2011-10-11	toshinagata1964	Inserting/removing frames now work more consistently...	blob \| commitdiff \| diff to current
2011-10-05	toshinagata1964	Atoms to be excluded from MM/MD calculations are now...	blob \| commitdiff \| diff to current
2011-09-28	toshinagata1964	Implementation of alchemical perturbation seems to...	blob \| commitdiff \| diff to current
2011-09-18	toshinagata1964	Ruby: Molecule#dup now duplicates the unit cell, symmet...	blob \| commitdiff \| diff to current
2011-08-31	toshinagata1964	MO import from GAMESS log file was broken	blob \| commitdiff \| diff to current
2011-08-31	toshinagata1964	Fchk import: zero is accepted as the number of alpha...	blob \| commitdiff \| diff to current
2011-08-23	toshinagata1964	Fchk import was broken (enbug in 0.5.6.1); fixed.	blob \| commitdiff \| diff to current
2011-08-03	toshinagata1964	Loading GAMESS dat file now can be interrupted by ESC.	blob \| commitdiff \| diff to current
2011-08-02	toshinagata1964	MO import from GAMESS log/dat files seems to be working...	blob \| commitdiff \| diff to current
2011-08-01	toshinagata1964	MO import from GAMESS output is being implemented ...	blob \| commitdiff \| diff to current
2011-07-28	toshinagata1964	CIF import is implemented (maybe still incomplete)	blob \| commitdiff \| diff to current
2011-07-26	toshinagata1964	Create New Parameter menu command is implemented. Molec...	blob \| commitdiff \| diff to current
2011-07-07	toshinagata1964	Copy/paste now handle parameters properly (hopefully...	blob \| commitdiff \| diff to current
2011-04-26	toshinagata1964	Importing GaussianW fch(k) files were not working becau...	blob \| commitdiff \| diff to current
2010-05-18	toshinagata1964	The view settings for mbsf files now can be restored...	blob \| commitdiff \| diff to current
2010-05-16	toshinagata1964	The native format (mbsf) now preserves the display...	blob \| commitdiff \| diff to current
2010-05-08	toshinagata1964	Handling of MD dialog is improved. MM/MD calculation...	blob \| commitdiff \| diff to current
2010-05-06	toshinagata1964	Importing GAMESS dat file was broken; fixed.	blob \| commitdiff \| diff to current
2010-04-25	toshinagata1964	Mac: the text field in the list control remained on...	blob \| commitdiff \| diff to current
2010-04-22	toshinagata1964	The MM/MD engine was not aware of modification of coord...	blob \| commitdiff \| diff to current
2010-03-31	toshinagata1964	Frames can now have variable unit cell parameters.	blob \| commitdiff \| diff to current
2010-02-28	toshinagata1964	The DISPATOM parameters are renamed to ELEMENT, to...	blob \| commitdiff \| diff to current
2010-02-23	toshinagata1964	The Ruby command reorder_atoms is renamed to renumber_a...	blob \| commitdiff \| diff to current
2010-02-20	toshinagata1964	Ruby commands find_angles and find_dihedrals are made...	blob \| commitdiff \| diff to current
2010-02-18	toshinagata1964	Ruby commands now handle angles in degree, rather than...	blob \| commitdiff \| diff to current
2010-01-21	toshinagata1964	initial import	blob \| commitdiff \| diff to current

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