Re: .wfn file

dummy@example.com (sobereva) — Sun, 21 Jul 2024 13:34:02 +0000

I updated Multiwfn today, now this function can use the file only containing atomic coordinate such as .xyz as input file.

.wfn file

dummy@example.com (Alexey) — Sat, 20 Jul 2024 22:23:16 +0000

Will a function for outputting a .wfn file with promolecular wavefunction be added someday so that only xyz and "atomwfn" can be used to generate this file, and not a .wfn file with real wavefunction, calculated in the same basis as the atoms in "atomwfn"?

Multiwfn forum / .wfn file

Re: .wfn file

.wfn file