/naive-hci

A naive implementation of heat-bath selected CI

Primary LanguageCApache License 2.0Apache-2.0

HCI module for PySCF

2021-02-23

  • Version 0.1

Install

  • Install to python site-packages folder
pip install git+git://github.com/pyscf/naive-hci
  • Install in a custom folder for development
git clone https://github.com/pyscf/naive-hci /home/abc/local/path

# 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