Greg Landrum 497c32a147 Fixes Github #7901 (#8264) ...

* does not work

* basically works
(at least it seems to)
needs more tesing and verification

* optimization and improved tests

passes local tests

* response to review

2025-02-27 13:14:11 +01:00

..

CrystalFF

Run clang-format across everything (#7849)

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

MMFF

Fix some more mem errors in 2024.09.1 (#7899)

2024-10-25 05:08:01 +02:00

UFF

remove no-op macros and dead code (pt 4) (#8037)

2025-01-30 06:28:59 +01:00

Wrap

Fix some more mem errors in 2024.09.1 (#7899)

2024-10-25 05:08:01 +02:00

catch_tests.cpp

Fixes Github #7901 (#8264)

2025-02-27 13:14:11 +01:00

CMakeLists.txt

Fixes Github #7901 (#8264)

2025-02-27 13:14:11 +01:00

FFConvenience.h

Allow creation of an empty forcefield (#7494)

2024-06-08 05:18:22 +02:00