Ricardo Rodriguez 1201f214c4 One final round of mem errors (#7943) ...

* fix descriptors

* fix filtercatalog wrapping

* fix Chem reaction enumeration

* register shared_ptr

* change order of declarations

* fixleaks in SimDivPickers

* Manage ptr arrays in ForceField/BFGSOpt

2024-10-29 06:46:43 +01:00

..

MMFF

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

UFF

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

Wrap

Fix some more mem errors in 2024.09.1 (#7899)

2024-10-10 16:08:50 +02:00

AngleConstraint.cpp

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

AngleConstraint.h

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

AngleConstraints.cpp

New contribs for DG (#7711)

2024-08-21 06:06:58 +02:00

AngleConstraints.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

catch_tests.cpp

New contribs for DG (#7711)

2024-08-21 06:06:58 +02:00

CMakeLists.txt

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

Contrib.h

Run clang-format against header files (#4143)

2021-06-08 07:57:51 +02:00

DistanceConstraint.cpp

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

DistanceConstraint.h

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

DistanceConstraints.cpp

New contribs for DG (#7711)

2024-08-21 06:06:58 +02:00

DistanceConstraints.h

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

ForceField.cpp

One final round of mem errors (#7943)

2024-10-29 06:46:43 +01:00

ForceField.h

Optimizations of the DistanceGeometry forcefield (#7600)

2024-07-15 14:14:39 -04:00

PositionConstraint.cpp

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

PositionConstraint.h

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

TorsionConstraint.cpp

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00

TorsionConstraint.h

Reduce code duplication in ff (#7715)

2024-08-22 05:54:35 +02:00