Using eckart condition to remove translation and rotation mode from hessian
To get hessian of molecule, I use psi4(https://psicode.org/)
-
Notifications
You must be signed in to change notification settings - Fork 0
pistack/proof-of-concept-for-eckart-condition
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Using eckart condition to remove translation and rotation mode from hessian
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published