Skip to content

Add new fitted atom energies#418

Open
cgrambow wants to merge 1 commit intomainfrom
atom_energies_fitted
Open

Add new fitted atom energies#418
cgrambow wants to merge 1 commit intomainfrom
atom_energies_fitted

Conversation

@cgrambow
Copy link
Copy Markdown

Add energies for DLPNO methods, B3LYP-D3BJ/def2-TZVP, wB97X-D/def2-TZVP,
and wB97M-V/def2-TZVP. Fitted with Arkane. Br not available for DLPNO-F12 methods.

Add energies for DLPNO methods, B3LYP-D3BJ/def2-TZVP, wB97X-D/def2-TZVP,
and wB97M-V/def2-TZVP.
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