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rdkit/Code/ForceField
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Paolo Tosco 4d6f099431 Fixes a bug in TorsionConstraint (#2732) 
* - fixed UFF/MMFF torsion constraints when the dihedral is set to 0.0
- removed some code duplication
- added relevant test and fixed existing ones

* - fix Windows exports

* - added PRECONDITION for RDGeom::Point3D pointers
- removed inline keywords
2019-10-24 16:03:58 +02:00
..
MMFF
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
UFF
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
Wrap
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
CMakeLists.txt
Fixes #2516 (#2519)
2019-06-28 09:57:00 -04:00
Contrib.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
ForceField.cpp
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
ForceField.h
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00