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08552e56b13dd7d635dd2fccdf1f61bda15da31c
rdkit
/
Code
/
GraphMol
/
ForceFieldHelpers
History
Ricardo Rodriguez
7b7a8a4e17
Refactor iostreams includes (
#8846
)
...
* refactor iostreams includes * restore ostream to MonomerInfo.cpp
2025-10-08 16:08:01 +02:00
..
CrystalFF
Refactor iostreams includes (
#8846
)
2025-10-08 16:08:01 +02:00
MMFF
Refactor iostreams includes (
#8846
)
2025-10-08 16:08:01 +02:00
UFF
Refactor iostreams includes (
#8846
)
2025-10-08 16:08:01 +02:00
Wrap
ForceFieldHelpers: fix “No Python class registered” error (
#8800
)
2025-09-23 06:03:57 +02:00
catch_tests.cpp
Fixes Github
#7901
(
#8264
)
2025-02-13 12:46:56 +01:00
CMakeLists.txt
Fixes Github
#7901
(
#8264
)
2025-02-13 12:46:56 +01:00
FFConvenience.h
Allow creation of an empty forcefield (
#7494
)
2024-06-08 05:18:22 +02:00