5 projects
qcinfo
A Python package for getting insights from quantum chemical calculation data.
trex2champ
A package to convert trexio files into various text input files for CHAMP code.
slurm-mongo
A package to download slurm usage from a supercomputer and upload it to MongoDB
aiida-champ
AiiDA plugin that wraps the vmc executable of CHAMP code for computing the total energy and much more stuff.
qc2champ
qc2champ: Convert a quantum chmical output file to a CHAMP input file.
