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rdkit
/
Code
/
GraphMol
/
ForceFieldHelpers
History
Paolo Tosco
8b90876577
fixes
#3824
(
#3949
)
...
Co-authored-by: Paolo Tosco <
paolo.tosco@novartis.com
>
2021-03-19 04:57:28 +01:00
..
CrystalFF
revised version of
#3894
(
#3903
)
2021-03-09 17:38:06 +01:00
MMFF
Issue a warning when embedding a molecule with no Hs (
#3807
)
2021-02-22 06:57:50 +01:00
UFF
Issue a warning when embedding a molecule with no Hs (
#3807
)
2021-02-22 06:57:50 +01:00
Wrap
fixes
#3824
(
#3949
)
2021-03-19 04:57:28 +01:00
CMakeLists.txt
switch to using target_compile_definitions instead of add_definitions (
#3350
)
2020-08-21 04:49:07 +02:00
FFConvenience.h
Change line ending from CR+LF to LF [ci skip]
2019-10-21 11:39:25 +09:00
