- ๐ Hi, Iโm Likun Yang
- ๐ Iโm interested in AIDD(AI for Drug Discovery|Development)
- ๐ฑ Iโm currently working on accelerating Protein Engineering through Artificial Intelligence
- ๐ซ reach me [email protected]
likun1212 / molpro-orbital-read Goto Github PK
View Code? Open in Web Editor NEWThis project forked from dbross/molpro-orbital-read
This script reads a molpro output and sequentially prints to the screen all orbital coefficients larger than the given threshold.