A tiny package that just characterizes some aspects of a molecule.
From a basic xyz geom input, it can calculate and print:
- R Matrix (interatomic distances)
- Unit vectors
- Bond angles
- Out-of-plane angles
- Dihedral angles
- Center of mass
-
Notifications
You must be signed in to change notification settings - Fork 0
eloucks/Molecule-Stats
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
About
A tiny package that just characterizes a molecule, printing out some of its information
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published