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In order to harness the benefits of pymatgen combined with Material Project to generate files for calculation tasks by mp-ID automatically, you are supposed to add the API for Material Project in the .bashrc.

You can do that easily by running this command.

vim .bashrc
// add this line into this file, `export MAPI_KEY="your-api-key-for-material-projects"`

If you have no ideas about api-key for material projects, please refer to this link.

Signed-off-by: veritas496 <[email protected]>
@likefallwind likefallwind merged commit 72264aa into deepmodeling:devel Aug 28, 2022
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