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Merge branch 'dev-stable' into trexio-convention

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This commit is contained in:
Anthony Scemama 2025-02-12 13:28:03 +01:00
commit 69b58f3680
2 changed files with 2 additions and 4 deletions
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4
ocaml/Angmom.ml
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@ -2,6 +2,7 @@ open Qptypes
open Sexplib.Std
type t = S|P|D|F|G|H|I|J|K|L [@@deriving sexp]
type st = t [@@deriving sexp]
let to_string = function
| S -> "S"
@ -70,9 +71,6 @@ let of_l i =
| x -> raise (Failure ("Angmom should be S|P|D|F|G|H|I|J|K|L"))
type st = t
module Xyz = struct
type t = { x: Positive_int.t ;
y: Positive_int.t ;

2
src/determinants/spindeterminants.irp.f
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@ -14,7 +14,7 @@ integer*8 function spin_det_search_key(det,Nint)
END_DOC
integer, intent(in) :: Nint
integer(bit_kind), intent(in) :: det(Nint)
integer(bit_kind), parameter :: unsigned_shift = -huge(1_bit_kind) ! 100...00
integer(bit_kind), parameter :: unsigned_shift = 1_bit_kind-huge(1_bit_kind) ! 100...00
integer :: i
spin_det_search_key = det(1)
do i=2,Nint