snurr-group/GCMC-Gelman-Rubin-Wrapper
A wrapper that runs GCMC simulation using RASPA, and calculates the Gelman-Rubin convergence factor after the simulation is done and restart the simulation if needed.
Python
No issues in this repository yet.
A wrapper that runs GCMC simulation using RASPA, and calculates the Gelman-Rubin convergence factor after the simulation is done and restart the simulation if needed.
Python
No issues in this repository yet.