5d-Ln-An_ioparse-nwchem

codes for parsing, generating output/input files in nwchem for our projects involving heavy element calculations

1. inpgen-nw.py holds main routines for input generation
2. geom/ a place to store optimized geometries in either z-matrix or xyz format
3. input_gen.h5 hdf5 file that holds the basis set, geometries and multiplicity information