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db0db2e4e4e0b85f40e6090fd456af12d616d0de
rdkit/Code/GraphMol/ForceFieldHelpers
History
Paolo Tosco e4a9df4c89 - fixed a bug in getUFFAngleBendParams()
2016-04-08 00:07:00 +01:00
..
CrystalFF
another batch of warnings squashed
2016-03-30 13:44:21 +02:00
MMFF
first pass, using google style
2015-11-14 14:58:11 +01:00
UFF
- fixed a bug in getUFFAngleBendParams()
2016-04-08 00:07:00 +01:00
Wrap
- fixed a bug in getUFFAngleBendParams()
2016-04-08 00:07:00 +01:00
CMakeLists.txt
ETKDG implementation
2015-10-20 13:51:43 +02:00