Partial re-implementation of wfoverlap in python.
Currently restricted to closed shell systems (singlet->singlet and singlet->triplet excitations)
eljost/pywfo
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
| Name | Name | Last commit date | ||
|---|---|---|---|---|
Partial re-implementation of wfoverlap in python.
Currently restricted to closed shell systems (singlet->singlet and singlet->triplet excitations)