cartesian coordinate optimizations

psi-rking / optking

optking: A molecular geometry optimization program

BSD 3-Clause "New" or "Revised" License

20 stars 14 forks source link

Closed psi-rking closed 7 years ago

psi-rking commented 7 years ago

needs debugged.

psi-rking commented 7 years ago

Debugged. Now can optimize water.