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Connection check is rewritten to include the pi anchor bonds (may be incomplete yet)
[molby/Molby.git]
/
MolLib
/
MolAction.c
2012-10-24
toshinagata1964
Connection check is rewritten to include the pi anchor...
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2012-10-19
toshinagata1964
Molecule#cell_flexibility, set_cell_flexibility are...
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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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2012-08-02
toshinagata1964
Property table can now list the unit cell parameters.
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2012-07-25
toshinagata1964
Handling of selection from Ruby script was partially...
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2012-07-06
toshinagata1964
Cell minimization is improved (hopefully...)
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2012-07-04
toshinagata1964
Molecule#cell_flexibility and set_cell_flexibility...
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2012-07-04
toshinagata1964
Handling of periodic box during MD is being reworked.
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2012-06-27
toshinagata1964
Molecule#expand_by_symmetry now returns an array of...
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2012-06-21
toshinagata1964
Handling of frame-specific cell parameters was very...
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2012-06-06
toshinagata1964
Ruby: Molecule#amend_by_symmetry is implemented.
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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
Restructure MolAction.c
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2011-11-30
toshinagata1964
Rms of crystallographic parameters (from the CIF file...
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2011-10-11
toshinagata1964
Inserting/removing frames now work more consistently...
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2011-09-06
toshinagata1964
Ruby command get_coord_from_frame(index, group=nil...
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2010-05-07
toshinagata1964
The MM/MD re-initialization after modification of coord...
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diff to current
2010-05-06
toshinagata1964
Some parameter editing caused segmentation fault; fixed.
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2010-04-23
toshinagata1964
Improved handling of copy/cut/paste in the parameter...
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2010-04-22
toshinagata1964
The MM/MD engine was not aware of modification of coord...
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2010-03-31
toshinagata1964
Frames can now have variable unit cell parameters.
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2010-02-23
toshinagata1964
The Ruby command reorder_atoms is renamed to renumber_a...
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2010-02-20
toshinagata1964
Ruby commands find_angles and find_dihedrals are made...
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2010-02-18
toshinagata1964
Ruby commands now handle angles in degree, rather than...
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2010-01-21
toshinagata1964
initial import
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