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4b8caf2cebddffe03e7e81d2d5b5ade4f1dc643b
rdkit
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ForceField
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Greg Landrum
40b006a8e0
fix to get tests passing in lin32. not a functional change, just tolerance values
2014-12-09 03:28:39 +01:00
..
MMFF
- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp
2014-12-02 22:47:18 +00:00
UFF
- fixed a bug in UFF/TorsionConstraint.cpp and MMFF/TorsionConstraint.cpp
2014-12-02 22:47:18 +00:00
Wrap
fix to get tests passing in lin32. not a functional change, just tolerance values
2014-12-09 03:28:39 +01:00
CMakeLists.txt
- added relative DistanceConstraints (i.e., +/- with respect
2013-12-02 19:58:29 +01:00
Contrib.h
update copyright statements
2010-09-26 17:04:37 +00:00
ForceField.cpp
Fixes
#204
2014-02-05 06:38:05 +01:00
ForceField.h
update copyright statements
2010-09-26 17:04:37 +00:00