mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-08-28 23:42:00 +02:00
Fix?
This commit is contained in:
parent
4dccd121e0
commit
a1c29fd3f1
@ -1,7 +1,7 @@
|
||||
# Generic installation
|
||||
|
||||
```bash
|
||||
opam install ocamlbuild lacaml mpi getopt alcotest zarith
|
||||
opam install ocamlbuild ocamlfind lacaml mpi getopt alcotest zarith
|
||||
```
|
||||
|
||||
|
||||
|
@ -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
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user