Skip to content

Conversation

@berquist
Copy link
Member

@berquist berquist commented Jul 5, 2025

The deleted FChk/Gaussian03/dvb_gopt_unconverged.fchk and FChk/Gaussian16/dvb_gopt_unconverged.fchk were using the Gaussian input geometry; I chose the Q-Chem input geometry for consistency since it is in XYZ format rather than a Z-matrix.

They should all currently parse without error.

@berquist berquist merged commit 13e6218 into cclib:master Jul 5, 2025
3 checks passed
@berquist berquist deleted the fchk-gopt branch July 5, 2025 15:59
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant