Our Software
PyCMF
is a Python package including correlated mean-field methods for molecules and materials. It is built on top of the PySCF library.
Installation
- Clone the repository:
git clone https://github.com/Quantum-Lab-HCMUS/pyCMF.git && cd pyCMF
- Install the required dependencies - Create conda enviroment:
conda create -n pycmf python=3.11 anaconda
conda activate pycmf
- Now we install the requirements:
pip install -r requirements.txt
Download source code
