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rdkit/Code/ForceField/UFF
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Greg Landrum e322928028 swap boost::tuple to std::tuple (#5851)
2022-12-16 16:01:19 +01:00
..
AngleBend.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
AngleBend.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
AngleConstraint.cpp
- fixes #3781 (#3975)
2021-03-26 12:53:33 +01:00
AngleConstraint.h
miscellaneous updates (#4284)
2021-07-13 06:57:29 +02:00
BondStretch.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
BondStretch.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
CMakeLists.txt
Cleanup some cmake dependencies (#3077)
2020-04-17 14:34:23 +02:00
Contribs.h
Fixes #1903 (#1971)
2018-07-25 09:14:17 +02:00
DistanceConstraint.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
DistanceConstraint.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
Inversion.cpp
swap boost::tuple to std::tuple (#5851)
2022-12-16 16:01:19 +01:00
Inversion.h
swap boost::tuple to std::tuple (#5851)
2022-12-16 16:01:19 +01:00
Nonbonded.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
Nonbonded.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
Params.cpp
fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
Params.h
fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
PositionConstraint.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
PositionConstraint.h
miscellaneous updates (#4284)
2021-07-13 06:57:29 +02:00
testUFFForceField.cpp
fix a thread-safety bug in the UFF parameter acquisition (#4553)
2021-09-29 09:31:36 +02:00
TorsionAngle.cpp
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
TorsionAngle.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
TorsionConstraint.cpp
- fixes #3781 (#3975)
2021-03-26 12:53:33 +01:00
TorsionConstraint.h
miscellaneous updates (#4284)
2021-07-13 06:57:29 +02:00