issues
search
Samthos
/
MC-MPn-Direct
MIT License
6
stars
4
forks
source link
Read job parameters from NWchem output
#8
Open
Samthos
opened
4 years ago
Samthos
commented
4 years ago
Things to get from nwchem output:
basis set
geometry
movecs location
Things to get from nwchem output: