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

Reorder arithmetic operations to avoid float overflow (fix #52) #53

Merged

awvwgk merged 1 commit into dftd4:master from PavelStishenko:fix-norm-overflow

Nov 19, 2020

Contributor

PavelStishenko commented Nov 19, 2020

Fix for issue #52


          reorder arithmetic operations to avoid float overflow

4ee02fb

Member

awvwgk commented Nov 19, 2020

Thanks for sharing. OSX test fails seem to be related to a recent meson update.

awvwgk approved these changes

View reviewed changes

awvwgk merged commit 708016d into dftd4:master

awvwgk mentioned this pull request

D4_model calculator sometimes returns NaNs from get_forces() #52

Closed

manishkothakonda mentioned this pull request

Getting NaN for Force and Energy values in OSZICAR #127

Closed

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment