10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-13 07:53:32 +01:00
This commit is contained in:
Anthony Scemama 2020-04-14 15:53:07 +02:00
parent 4dccd121e0
commit a1c29fd3f1
2 changed files with 4 additions and 4 deletions

View File

@ -1,7 +1,7 @@
# Generic installation
```bash
opam install ocamlbuild lacaml mpi getopt alcotest zarith
opam install ocamlbuild ocamlfind lacaml mpi getopt alcotest zarith
```

View File

@ -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