A Snakemake workflow to perform q-point convergence testing with AbINS.
A set of realspace cutoffs is set in the config file, and Mantid/AbINS is called repeatedly in a Conda environment to produce convergence plots.
A Snakemake workflow to perform q-point convergence testing with AbINS.
A set of realspace cutoffs is set in the config file, and Mantid/AbINS is called repeatedly in a Conda environment to produce convergence plots.