Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Add geometric information function #232

Closed
SEBeutick opened this issue May 8, 2024 · 0 comments · Fixed by #236
Closed

Add geometric information function #232

SEBeutick opened this issue May 8, 2024 · 0 comments · Fixed by #236
Assignees
@YHordijk
Labels
enhancement New feature or request

Comments

@SEBeutick
Copy link
Contributor

This would be return the distance between molecule 1 and 2 :
tc geom mol.xyz 1 2

the dihedral angle between 1 2 3 4:
tc geom mol.xyz 1 2 3 4
@YHordijk YHordijk added the enhancement New feature or request label May 15, 2024
@YHordijk YHordijk linked a pull request May 15, 2024 that will close this issue
Add geometric parameter function and the new tc geo command #236
Merged
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@YHordijk YHordijk

Labels
enhancement New feature or request
Projects
None yet
Milestone
No milestone
Development

Successfully merging a pull request may close this issue.

Add geometric parameter function and the new tc geo command TheoChem-VU/TCutility
2 participants
@YHordijk @SEBeutick