Hi,
I am trying to run the tutorial of : High-throughput workflows for
determining adsorption energies on solid surfaces.
see: https://static-content.springer.com/esm/art%3A10.1038%2Fs41524-017-0017-z/MediaObjects/41524_2017_17_MOESM1_ESM.pdf
But I was unable to import get_wf_adsorption : from atomate.vasp.workflows.base.adsorption import get_wf_adsorption
even-though i clone it with the recomanded fork : https://github.com/montoyjh/atomate/tree/adsorption
I could not find any information about get_wf_adsorption ?
Thanks.
Hi,
Unfortunately, that branch is out of date with most of the other elements of the MP stack (e. g. pymatgen and pymatgen-db), so I wouldn’t recommend using it any longer. Here’s an updated version of the notebook, which I’ll also post on matgenb.
Best,
Joey
High-throughput workflows for determining adsorption energies on solid surfaces.ipynb (649 KB)
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On Tuesday, July 24, 2018 at 4:42:29 AM UTC-7, [email protected] wrote:
Hi,
I am trying to run the tutorial of : High-throughput workflows for
determining adsorption energies on solid surfaces.
see: https://static-content.springer.com/esm/art%3A10.1038%2Fs41524-017-0017-z/MediaObjects/41524_2017_17_MOESM1_ESM.pdf
But I was unable to import get_wf_adsorption : from atomate.vasp.workflows.base.adsorption import get_wf_adsorption
even-though i clone it with the recomanded fork : https://github.com/montoyjh/atomate/tree/adsorption
I could not find any information about get_wf_adsorption ?
Thanks.