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ba7deb89a09080cdc27e2504e304605814d98d21
rdkit
/
Code
/
GraphMol
/
ForceFieldHelpers
/
UFF
History
Juuso Lehtivarjo
9ef7081ece
Add inlines to ForceFieldHelpers header functions (
#6356
)
2023-05-13 06:45:56 +02:00
..
test_data
Unset executable flag
2019-10-10 20:18:43 +09:00
AtomTyper.cpp
swap boost::tuple to std::tuple (
#5851
)
2022-12-16 16:01:19 +01:00
AtomTyper.h
clang-tidy-7 pass (
#2408
)
2019-04-16 12:05:47 -04:00
Builder.cpp
Fixes
#5210
(
#5408
)
2022-07-11 11:20:03 +02:00
Builder.h
Fixes
#5210
(
#5408
)
2022-07-11 11:20:03 +02:00
CMakeLists.txt
Cleanup some cmake dependencies (
#3077
)
2020-04-17 14:34:23 +02:00
testUFFHelpers.cpp
Initial support for non-tetrahedral stereochemistry (
#5084
)
2022-05-20 09:07:16 +02:00
UFF.h
Add inlines to ForceFieldHelpers header functions (
#6356
)
2023-05-13 06:45:56 +02:00