mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-11-19 04:22:21 +01:00
10 lines
199 B
OCaml
10 lines
199 B
OCaml
open Util
|
|
open Simulation
|
|
|
|
let make ?guess simulation =
|
|
if simulation.electrons.Electrons.multiplicity = 1 then
|
|
RHF.make ?guess simulation
|
|
else
|
|
invalid_arg "UHF or ROHF not implemented"
|
|
|