Greg Landrum 567ba6774f Fixes #8559 (#8560) ...

* Fixes #8559

Also includes some minor refactoring of set14Bounds()

* apply the same change to the cis/trans trackers

* cleanup

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Co-authored-by: = <=>

2025-06-30 08:52:04 +02:00

..

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

Change default ETversion. (#8414)

2025-05-27 05:20:40 +02:00

BoundsMatrixBuilder.cpp

Fixes #8559 (#8560)

2025-06-30 08:52:04 +02:00

BoundsMatrixBuilder.h

a few doxygen comment fixes (#4368)

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

catch_tests.cpp

Fixes #8559 (#8560)

2025-06-30 08:52:04 +02:00

CMakeLists.txt

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

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

Embedder.cpp

Change default ETversion. (#8414)

2025-05-27 05:20:40 +02:00

Embedder.h

Change default ETversion. (#8414)

2025-05-27 05:20:40 +02:00

EmbedderUtils.cpp

Conformer embedding timeout (#8110)

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

testDgeomHelpers.cpp

remove no-op macros and dead code (pt 2) (#8035)

2025-01-11 14:10:00 +01:00