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

Use a proper calculation of energy #54

Closed
malramsay64 opened this issue Oct 20, 2019 · 1 comment
Closed

Use a proper calculation of energy #54

malramsay64 opened this issue Oct 20, 2019 · 1 comment
Projects
PhD

Comments

@malramsay64
Copy link
Owner

Rather than the number I have now, which is purely indicative. I should have a value of the free energy. This likely will have to be negated as a result but that is workable.

This will require some additional thought on #2 for getting reproducible results.
@malramsay64 malramsay64 mentioned this issue Oct 20, 2019
Closed
@malramsay64 malramsay64 added this to To do in PhD Oct 27, 2019
@malramsay64
Copy link
Owner Author

I believe this has now been fixed in 61200fe, although the values don't correspond particularly well to the simulation values. This is possibly due to the pressure, but I am not entirely sure.

PhD automation moved this from To do to Done Nov 4, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
No open projects
PhD
  
Done
Milestone
No milestone
Development

No branches or pull requests
1 participant
@malramsay64