NRLMOL utility codes

This repository contains utility codes and scripts for accompany the NRLMOL and FLOSIC codes. The below are some highlights.

• wfout_reader.f90: Convert a binary WFOUT into a human readable format WFOUT2
• wfout_unp2pol_converter.f90: Convert a spin unpolarized WFOUT into a spin polarized WFOUT.
• evalueSmearing.f90: Apply Gaussain smearing on eigenvalues for plotting with gnuplot.
• xmol2cluster.pl: Converts an xmol geometry file to NRLMOL CLUSTER file.
• qchem2cluster.pl: Converts an qchem geometry file to NRLMOL CLUSTER file.
• cluster2xyz.pl: Converts NRLMOL CLUSTER file to xyz file.
• benchmark/benchmark_libxc.sh: shell script testing suite code for the UTEP-NRLMOL code (written for old versions around 2015-2017).
• nrlmol2molden.f90: Converts NRLMOL output to molden file