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rdkit
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rdkit
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ForceField
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Greg Landrum
e04aed8ea8
another batch of warnings squashed
2016-03-30 13:44:21 +02:00
..
MMFF
another batch of warnings squashed
2016-03-30 13:44:21 +02:00
UFF
another batch of warnings squashed
2016-03-30 13:44:21 +02:00
Wrap
first pass, using google style
2015-11-14 14:58:11 +01:00
CMakeLists.txt
- added relative DistanceConstraints (i.e., +/- with respect
2013-12-02 19:58:29 +01:00
Contrib.h
first pass, using google style
2015-11-14 14:58:11 +01:00
ForceField.cpp
speed up the distance calculation a bit too
2015-12-08 03:09:30 +01:00
ForceField.h
first pass, using google style
2015-11-14 14:58:11 +01:00
