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Support load/save of NBO info
[molby/Molby.git]
/
MolLib
/ Parameter.c
2022-09-19
Toshi Nagata
Compiler warnings are mostly removed.
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2014-06-05
toshinagata1964
The atomic radii for graphical display are corrected...
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2014-04-23
toshinagata1964
In reading MM/MD parameters, check criteria for duplica...
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2014-03-21
toshinagata1964
Obsolete codes are removed
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2014-03-14
toshinagata1964
Atomic weights are handled as floats instead of doubles...
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2013-08-27
toshinagata1964
Vdw and Vdw-pair parameters can now have atom indices...
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2012-11-01
toshinagata1964
Parameter lookup was not working correctly when neither...
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2012-10-29
toshinagata1964
Pi anchor implementation is done.
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2012-10-25
toshinagata1964
Merging/unmerging molecules are extensively revised...
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2012-09-01
toshinagata1964
Ruby: Molecule#bond_par, angle_par, dihedral_par, impro...
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2012-06-14
toshinagata1964
Load/save mbsf files were broken when atom type variant...
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2012-05-08
toshinagata1964
Parameters now can be specified by using both explicit...
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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
Atom range specification for the vdw cutoff parameter...
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2011-10-12
toshinagata1964
Occasional crash on merging molecules is fixed. (Duplic...
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2011-09-26
toshinagata1964
The \'r_eq14\' parameter was not editable in the proper...
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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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2010-02-28
toshinagata1964
The DISPATOM parameters are renamed to ELEMENT, to...
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2010-02-24
toshinagata1964
Parameter#bond, angle, etc. are no longer implemented...
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2010-01-23
toshinagata1964
Ruby command: ParEnumerable.lookup now accepts atom...
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2010-01-21
toshinagata1964
initial import
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