David Cosgrove e6f37dc498 Change docs in Python EmbedMultipleConfs. (#8900) ...

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2025-10-31 13:49:20 +01:00

..

test_data

Fix grad scaling (#8791)

2025-09-21 18:19:50 +02:00

Wrap

Change docs in Python EmbedMultipleConfs. (#8900)

2025-10-31 13:49:20 +01:00

BoundsMatrixBuilder.cpp

Fixes #8559 (#8560)

2025-06-06 15:30:07 +02:00

BoundsMatrixBuilder.h

a few doxygen comment fixes (#4368)

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

catch_tests.cpp

ScsrHbondMrvError (#8646)

2025-10-31 13:34:32 +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

Fix ETKDG double bond check from #8518 (#8528)

2025-05-19 14:28:15 +02:00

Embedder.h

Change default ETversion. (#8414)

2025-05-14 07:42:48 +02:00

EmbedderUtils.cpp

Conformer embedding timeout (#8110)

2025-01-13 10:08:25 +01:00

testDgeomHelpers.cpp

Refactor iostreams includes (#8846)

2025-10-31 13:42:16 +01:00