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.

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

Potential Definition Discrepancy with Stress Calculation #308

Open
camdennis opened this issue May 1, 2024 · 0 comments
Open

Potential Definition Discrepancy with Stress Calculation #308

camdennis opened this issue May 1, 2024 · 0 comments

Comments

@camdennis
Copy link

I was hoping I could get someone else to check that I'm not just being dense, but after noticing that the stress response was opposite in sign to what I expected, I noticed that quantity.stress seems to be different than the virial definition of stress given by (for example) https://en.wikipedia.org/wiki/Virial_stress

I think it's just an overall negative sign. In athermal systems, I thought dU/dV was the definition of the stress tensor. As always, I'm happy to be wrong, but would be extremely appreciative if someone smarter than me could take a look. Thanks!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant