/autoQM

A Software for Large Scale Quantum Mechanic Calculations

Primary LanguagePythonMIT LicenseMIT

autoQM

A Software for Large Scale Quantum Mechanic Calculations

How to run

# get repo
git clone https://github.com/KEHANG/autoQM.git
cd autoQM

# create autoQM environment
conda env create -f envs/environment_mac.yaml

# create config.cfg
# contact me for detail

# setup crontab jobs