a collection of scripts for solid hydrogen research
- static_twists.py collect all QMCPACK scalar data from a directory, which may contain one or many subdirectories of VMC/DMC runs.
- forces.py functions related to extracting and analyzing the forces of a QMCPACK run
- generate_confis.py pulls atomic configurations from a QE output and puts them in a database in json format
- static_correlation.py reads atomic configurations from a database in json format and calculates g(r) and S(k)