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rdkit/Code/ForceField/UFF
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Hussein Faara 6f60a99468 remove no-op macros and dead code (pt 4) (#8037) 
* remove no-op macros and dead code (pt 4)

* review comments
2025-01-30 06:28:59 +01:00
..
AngleBend.cpp
Cleanup: Force field (#7406)
2024-05-10 13:22:15 +02:00
AngleBend.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
AngleConstraint.h
Reduce code duplication in ff (#7715)
2024-08-22 05:54:35 +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
New contribs for DG (#7711)
2024-08-21 06:06:58 +02:00
DistanceConstraint.h
Reduce code duplication in ff (#7715)
2024-08-22 05:54:35 +02:00
Inversion.cpp
New contribs for DG (#7711)
2024-08-21 06:06:58 +02:00
Inversion.h
New contribs for DG (#7711)
2024-08-21 06:06:58 +02:00
Inversions.cpp
New contribs for DG (#7711)
2024-08-21 06:06:58 +02:00
Inversions.h
Run clang-format across everything (#7849)
2024-09-26 13:39:02 +02:00
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
Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)
2024-08-10 06:32:25 +02:00
PositionConstraint.h
Reduce code duplication in ff (#7715)
2024-08-22 05:54:35 +02:00
testUFFForceField.cpp
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
TorsionAngle.cpp
remove no-op macros and dead code (pt 4) (#8037)
2025-01-30 06:28:59 +01:00
TorsionAngle.h
Run clang-tidy (modernize-use-override) (#4251)
2021-07-01 05:18:56 +02:00
TorsionConstraint.h
Reduce code duplication in ff (#7715)
2024-08-22 05:54:35 +02:00
Utils.cpp
Throw when attempting to normalize a Zero RDGeom::Point (#8008)
2024-11-28 07:27:45 +01:00
Utils.h
New contribs for DG (#7711)
2024-08-21 06:06:58 +02:00