cppe icon indicating copy to clipboard operation
cppe copied to clipboard
Published 2 months ago • verified publisher icon maxscheurer

Atomic force

Open sunqm opened this issue 2 years ago • 1 comments

Here is a question about the nuclear gradients raised in PySCF https://github.com/pyscf/pyscf/issues/1321

sunqm avatar Mar 21 '23 08:03 sunqm

Thanks for reaching out, I'll look into it!

maxscheurer avatar Mar 21 '23 17:03 maxscheurer