atwf add POSCAR not working

hackingmaterials / atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

https://hackingmaterials.github.io/atomate

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atwf add POSCAR not working #750

Closed jmmshn closed 2 years ago

jmmshn commented 2 years ago

atwf add POSCAR errors out due to the yaml.load command here

The current version of yaml.load requires a Loader kwarg or just calling safe_load instead. See here for more detail. https://github.com/yaml/pyyaml/wiki/PyYAML-yaml.load(input)-Deprecation

itsduowang commented 2 years ago

I have reviewed the file changed and I will merge this PR now. Thanks for your contribution and please let us know if there is any further problems or concerns. Cheers! :)