ptosco bc88b4393d - Fixed a bug in Code/GraphMol/MolAlign/testMolAlign.cpp which caused ...

data races in the multithreaded test
- Removed a spurious #include in Code/ForceField/Wrap/ForceField.cpp
- Restored caching in Code/GraphMol/Descriptors/Crippen.cpp

2014-01-24 14:20:34 +01:00

..

MMFF

complete merge

2013-12-03 05:24:58 +01:00

UFF

complete merge

2013-12-03 05:24:58 +01:00

Wrap

- Fixed a bug in Code/GraphMol/MolAlign/testMolAlign.cpp which caused

2014-01-24 14:20:34 +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

another update

2012-02-25 16:27:54 +00:00

ForceField.h

update copyright statements

2010-09-26 17:04:37 +00:00