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quantum_package/ocaml/qp_print_basis.ml
2016-01-14 15:17:57 +01:00

20 lines
415 B
OCaml

open Core.Std
open Qptypes
let () =
let ezfio_filename =
Sys.argv.(1)
in
if (not (Sys.file_exists_exn ezfio_filename)) then
failwith "Error reading EZFIO file";
Ezfio.set_file ezfio_filename;
let basis =
match Input.Ao_basis.read () with
| Some basis -> basis
| _ -> failwith "Error reading basis set"
in
Input.Ao_basis.to_rst basis
|> Rst_string.to_string
|> print_endline