Skip to content

pyscf/naive-hci

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

26 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

HCI module for PySCF

2021-02-23

  • Version 0.1

Install

  • Install to python site-packages folder
pip install git+https://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

About

A naive implementation of heat-bath selected CI

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published