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BarakHirshberg/PIMD_for_fermions_data

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PIMD_for_fermions_data

Raw data for arXiv:2003.10317, published in https://doi.org/10.1063/5.0008720. Essentially the same code as in the PNAS paper but with a virial estimator for the kinetic energy implemented in the compute.

NOTE: found a minor bug in error estimation in the python script. The reported error is too large by a factor of (Neff-1)^(1/4), which is smaller than 2 for all cases considered. I am keeping the original script here for reproducibility but to get the correct error, as described in the SI, replace all "np.sqrt(Neff-1)" in the python script with "(Neff-1)".

Also added analyze_fermions_fixed.py for the corrected script.