data.oc.experimental.merge_traj

data.oc.experimental.merge_traj#

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.

Functions#

extract_file(zipname, file_to_unzip, extract_to)

main()

Given a directory containing adsorbate subdirectories, loops through all

Module Contents#

data.oc.experimental.merge_traj.extract_file(zipname, file_to_unzip, extract_to)#
data.oc.experimental.merge_traj.main()#

Given a directory containing adsorbate subdirectories, loops through all runs and merges intermediate checkpoints into a single, full trajectory.

Contents