mmml env¶
Find resolved/bundled checkpoints and CHARMM paths.
Resolve checkpoints, CHARMM paths, and shell export hints without importing PyCHARMM.
mmml env
mmml env --json
Usage¶
mmml env --help
Options¶
usage: mmml env [-h] [--json] [--export]
Show resolved MMML environment paths and status of default model parameters
(PhysNet, SpookyNet, MBD, Multipoles).
options:
-h, --help show this help message and exit
--json Print machine-readable JSON.
--export Print export lines only (for eval "$(mmml env --export)").