nmaeder 0be2c3a1b6 Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)

2024-08-10 06:32:25 +02:00

..

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

Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)

2024-08-10 06:32:25 +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

Cleanup: Force field (#7406)

2024-05-10 13:22:15 +02:00

DistanceConstraint.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

Inversion.cpp

Cleanup: Force field (#7406)

2024-05-10 13:22:15 +02:00

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

Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)

2024-08-10 06:32:25 +02:00

PositionConstraint.cpp

Cleanup: Force field (#7406)

2024-05-10 13:22:15 +02:00

PositionConstraint.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

testUFFForceField.cpp

Make sure angleconstraints only take angles between 0 and 180 degrees. (#7688)

2024-08-10 06:32:25 +02:00

TorsionAngle.cpp

Cleanup: Force field (#7406)

2024-05-10 13:22:15 +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