LCPQ
/
QCaml
mirror of https://gitlab.com/scemama/QCaml.git
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Some cleaning

This commit is contained in:
Anthony Scemama 2019-03-01 11:50:48 +01:00
parent bdb547c346
commit 4b9e2016aa
2 changed files with 4 additions and 20 deletions
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12
run_fci.ml
View File

@ -23,17 +23,9 @@ let () =
end;
(* Handle options *)
let basis_file =
match Command_line.get "basis" with
| Some x -> x
| None -> assert false
in
let basis_file = Util.of_some Command_line.get "basis" in
let nuclei_file =
match Command_line.get "xyz" with
| Some x -> x
| None -> assert false
in
let nuclei_file = Util.of_some Command_line.get "xyz" in
let charge =
match Command_line.get "charge" with

12
run_hartree_fock.ml
View File

@ -23,17 +23,9 @@ let () =
end;
(* Handle options *)
let basis_file =
match Command_line.get "basis" with
| Some x -> x
| None -> assert false
in
let basis_file = Util.of_some Command_line.get "basis" in
let nuclei_file =
match Command_line.get "xyz" with
| Some x -> x
| None -> assert false
in
let nuclei_file = Util.of_some Command_line.get "xyz" in
let charge =
match Command_line.get "charge" with