Python files for reading NWChem output and converting to Json
Use case:
nwchem2json.py [noOrbitals]
(noOrbitals is an optional keyword supressing storing orbitals in the JSON file. Note, the orbital coefficients are read from the output, and by default only large coefficients are printed. Make sure to adjust the print level to also print smaller coefficients, to avoid getting funky looking orbitals. The alternative is to use the NWChem ready version writing JSON files, which uses all coefficients.)
If you find any problems, please let me know by sending the output file and I'll fix the Python code.