testing cosmo settings
Added a 2-step optimization scheme for NWChem
fixes to NWChem: Mostly options for quick optimizations with COSMO
Merge branch 'hotfix' into nwchem
Spherical basis sets are now default for NWChem
merged hotfix
Added a simple convergence aid to NWChem: a preeliminar HF/3-21G calculation to use as a density guess
merged nwchem