Axel Kohlmeyer 4eedfeb774 detect if LAMMPS library initialization failed and raise an exception

2022-02-12 22:43:18 -05:00

..

mliap

rename MLIAP package to ML-IAP

2021-06-29 10:44:32 -04:00

__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

detect if LAMMPS library initialization failed and raise an exception

2022-02-12 22:43:18 -05:00

data.py

update URLs in some more files

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

formats.py

update URLs in some more files

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

numpy_wrapper.py

Add csforce field to numpy_wrapper detection

2022-02-03 15:14:22 -05:00

pylammps.py

Add and use lammps_flush_buffers() in Python interface

2022-02-04 10:42:22 -05:00