pyscf / cornell-shci

An interface to the SHCI program developed by Umrigar group at Cornell
Apache License 2.0
1 stars 2 forks source link

Cornell SHCI module for PySCF

2021-02-27

Install

Set pyscf extended module path

echo 'export PYSCF_EXT_PATH=/home/abc/local/path:$PYSCF_EXT_PATH' >> ~/.bashrc



You can find more details of extended modules in the document
[extension modules](https://pyscf.org/install.html#extension-modules)