quantum_package/ocaml/test_atom.ml

mirror of https://github.com/LCPQ/quantum_package synced 2024-11-08 15:13:52 +01:00
let test_atom = 
  let line = "C  6.0  1.  2. 3." in
  let atom = Atom.of_string Point3d.Bohr line in
  print_string (Atom.to_string atom)
;;
Some utilities for input 2014-08-23 17:07:47 +02:00			`let test_atom =`
			`let line = "C 6.0 1. 2. 3." in`
xyz to ezfio works 2014-09-18 17:01:43 +02:00			`let atom = Atom.of_string Point3d.Bohr line in`
Some utilities for input 2014-08-23 17:07:47 +02:00			`print_string (Atom.to_string atom)`
			`;;`