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7c6d9cf4e9d95b4daa954f4f094e026093dbc13f
rdkit/Code/ForceField/MMFF
History
Eisuke Kawashima 7c6d9cf4e9 Unset executable flag (#2833)
2019-12-19 08:29:32 +01:00
..
test_data
- modified Code/GraphMol/AddHs.cpp so that hydrogens are not
2014-02-01 13:05:10 +01:00
AngleBend.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
AngleBend.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
AngleConstraint.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
AngleConstraint.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
BondStretch.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
BondStretch.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
CMakeLists.txt
Integrate Coordgen (#1708)
2018-02-15 05:36:03 +01:00
Contribs.h
Fixes #1903 (#1971)
2018-07-25 09:14:17 +02:00
DistanceConstraint.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
DistanceConstraint.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
Nonbonded.cpp
Fix/mmff threadsafety issues (#2518)
2019-07-12 06:45:47 +02:00
Nonbonded.h
Fix/mmff threadsafety issues (#2518)
2019-07-12 06:45:47 +02:00
OopBend.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
OopBend.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
Params.cpp
Fix/mmff threadsafety issues (#2518)
2019-07-12 06:45:47 +02:00
Params.h
Fix/mmff threadsafety issues (#2518)
2019-07-12 06:45:47 +02:00
PositionConstraint.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
PositionConstraint.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
StretchBend.cpp
Fix/urange check (#1506)
2017-09-11 21:17:33 +02:00
StretchBend.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
testMMFFForceField.cpp
Unset executable flag (#2833)
2019-12-19 08:29:32 +01:00
testMMFFForceField.h
first pass, using google style
2015-11-14 14:58:11 +01:00
TorsionAngle.cpp
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
TorsionAngle.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
TorsionConstraint.cpp
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00
TorsionConstraint.h
Fixes a bug in TorsionConstraint (#2732)
2019-10-24 16:03:58 +02:00