Skip to content

gambort/psi4-EDFT

Repository files navigation

psi4-EDFT

EDFT libraries and code using psi4/numpy

Requires a recent version of psi4 (developed using 1.3.2)

See Examples.txt for usage examples and KnownIssues.txt for issues.

Code seems to work most of the time but may have issues. There are many undocumented options too.

About

EDFT libraries and code using psi4/numpy

Resources

Stars

Watchers

Forks

Packages

No packages published

Languages