data.oc.databases.update

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

Script for updating ase pkl and db files from v3.19 to v3.21. Run it with ase v3.19.

Functions

pbc_patch(self)
set_pbc_patch(self, pbc)
update_pkls()
update_dbs()

Module Contents

data.oc.databases.update.pbc_patch(self)

data.oc.databases.update.set_pbc_patch(self, pbc)

data.oc.databases.update.update_pkls()

data.oc.databases.update.update_dbs()