From a1c29fd3f1c511803a13a3e4efe1b170f7fc0b77 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 14 Apr 2020 15:53:07 +0200 Subject: [PATCH] Fix? --- INSTALL.md | 2 +- Simulation.ml | 6 +++--- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/INSTALL.md b/INSTALL.md index fc12576..9140d3f 100644 --- a/INSTALL.md +++ b/INSTALL.md @@ -1,7 +1,7 @@ # Generic installation ```bash -opam install ocamlbuild lacaml mpi getopt alcotest zarith +opam install ocamlbuild ocamlfind lacaml mpi getopt alcotest zarith ``` diff --git a/Simulation.ml b/Simulation.ml index c8287bd..2a1726f 100644 --- a/Simulation.ml +++ b/Simulation.ml @@ -35,15 +35,15 @@ let make ?cartesian:(cartesian=false) Electrons.make ~multiplicity ~charge nuclei in - let chargre = + let charge = Charge.(Nuclei.charge nuclei + Electrons.charge electrons) in - let ao_basis = + let ao_basis = AOBasis.make ?f12 ~basis ~cartesian nuclei in - let nuclear_repulsion = + let nuclear_repulsion = Nuclei.repulsion nuclei in