chemshift fd2ab2a8b9 Update __init__.py

2022-08-08 12:08:46 -06:00

..

mliap

Update __init__.py

2022-08-08 12:08:46 -06:00

__init__.py

Merge remote-tracking branch 'github/master' into collected-small-changes

2021-06-04 00:28:32 -04:00

constants.py

Move import to get_ctypes_int() function

2021-06-01 15:31:00 -04:00

core.py

update some linewraps for 100 col limit

2022-06-20 18:15:02 -04:00

data.py

update URLs in some more files

2021-05-24 16:19:37 -04:00

formats.py

add comment to please CodeQL

2022-05-18 00:56:10 -04:00

numpy_wrapper.py

correct handling data of local computes which always needs to check rows and cols

2022-06-20 18:10:57 -04:00

pylammps.py

Added documentation for verbose option

2022-05-24 12:02:34 +02:00