Greg Landrum 7872341b92 fixes #8001 (#8002)

2024-11-14 05:14:51 +01:00

..

test_data

Ensure 13 bounds constraints are added to angles that are part of an improper torsion (#7729)

2024-08-21 16:06:29 +02:00

Wrap

Run clang-format across everything (#7849)

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

BoundsMatrixBuilder.cpp

Run clang-format across everything (#7849)

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

BoundsMatrixBuilder.h

a few doxygen comment fixes (#4368)

2021-08-09 04:58:01 +02:00

catch_tests.cpp

fixes #8001 (#8002)

2024-11-14 05:14:51 +01:00

CMakeLists.txt

add option to symmetrize conjugated terminal groups when RMS pruning conformers (#7270)

2024-03-19 04:38:29 +01:00

Embedder.cpp

fixes #8001 (#8002)

2024-11-14 05:14:51 +01:00

Embedder.h

add option to symmetrize conjugated terminal groups when RMS pruning conformers (#7270)

2024-03-19 04:38:29 +01:00

EmbedderUtils.cpp

add option to symmetrize conjugated terminal groups when RMS pruning conformers (#7270)

2024-03-19 04:38:29 +01:00

testDgeomHelpers.cpp

fixes #8001 (#8002)

2024-11-14 05:14:51 +01:00