data.oc.experimental.perturb_systems

data.oc.experimental.perturb_systems#

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#

main()

Rattles every image along a relaxation pathway at 5 different variances.

Module Contents#

data.oc.experimental.perturb_systems.main()#

Rattles every image along a relaxation pathway at 5 different variances. Rattled images are then put in their own directory along with the input files necessary to run VASP calculations.

Contents