deepmodeling / tutorials

Tutorials for DeepModeling projects.
13 stars 22 forks source link

update mp api-key part #55

Closed veritas496 closed 2 years ago

veritas496 commented 2 years ago

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.