Greg Landrum 8e9e1d9574 some optimizations of triangle smoothing (#8190)

2025-01-30 05:54:56 +01:00

..

Wrap

Fix leaks in MIF wrappers (#8143)

2025-01-30 05:50:20 +01:00

BoundsMatrix.h

some optimizations of triangle smoothing (#8190)

2025-01-30 05:54:56 +01:00

ChiralSet.h

Fixes #7552 (#7564)

2024-06-26 04:42:33 +02:00

ChiralViolationContrib.cpp

Optimizations of the DistanceGeometry forcefield (#7600)

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

ChiralViolationContrib.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

ChiralViolationContribs.cpp

Optimizations of the DistanceGeometry forcefield (#7600)

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

ChiralViolationContribs.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

CMakeLists.txt

Fix some missing headers when doing "make install" (#7667)

2024-07-25 11:07:03 -04:00

DistGeomUtils.cpp

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

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

DistGeomUtils.h

Refactor distgeom minimizations (#7652)

2024-07-25 06:14:12 +02:00

DistViolationContrib.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

DistViolationContrib.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

DistViolationContribs.cpp

Optimizations of the DistanceGeometry forcefield (#7600)

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

DistViolationContribs.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

FourthDimContrib.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

FourthDimContribs.h

Optimizations of the DistanceGeometry forcefield (#7600)

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

testDistGeom.cpp

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

TriangleSmooth.cpp

some optimizations of triangle smoothing (#8190)

2025-01-30 05:54:56 +01:00

TriangleSmooth.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00