adsorbml.scripts.process_mlrs

adsorbml.scripts.process_mlrs#

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Attributes#

SURFACE_CHANGE_CUTOFF_MULTIPLIER

DESORPTION_CUTOFF_MULTIPLIER

args

Functions#

parse_args()

min_diff(atoms_init, atoms_final)

process_mlrs(arg)

Module Contents#

adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER = 1.5#
adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER = 1.5#
adsorbml.scripts.process_mlrs.parse_args()#
adsorbml.scripts.process_mlrs.min_diff(atoms_init, atoms_final)#
adsorbml.scripts.process_mlrs.process_mlrs(arg)#
adsorbml.scripts.process_mlrs.args#
Contents