Prevent this user from interacting with your repositories and sending you notifications.
Learn more about blocking users.
You must be logged in to block users.
Contact GitHub support about this user’s behavior.
Learn more about reporting abuse.
Forked from MolSSI/QCEngine
A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.
Forked from MolSSI/QCEngineRecords
A collection of input and output files for QCEngine parsers.
Forked from leeping/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
A sample repository for the MolSSI Bootcamp
Python scripts for generating Molpro input files to study the WCCR10 dataset and perform data analysis.
Seeing something unexpected? Take a look at the
GitHub profile guide.