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

Order of energy files in qfep input changes results #15

Open
acmnpv opened this issue Sep 28, 2015 · 0 comments
Open

Order of energy files in qfep input changes results #15

acmnpv opened this issue Sep 28, 2015 · 0 comments
Assignees
Labels

Comments

@acmnpv
Copy link
Contributor

acmnpv commented Sep 28, 2015

The order of the appearance of energy files in the qfep input can change the results if they are scrambled enough (normal inversion has no effect).
Desired behaviour is no dependence on the file order.

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

No branches or pull requests

1 participant