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Anthony Scemama 2019-06-21 12:08:58 +02:00
parent 72f920e111
commit 03003690ed
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src/determinants/occ_pattern.irp.f
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@ -53,7 +53,17 @@ subroutine occ_pattern_to_dets(o,d,sze,n_alpha,Nint)
use bitmasks
implicit none
BEGIN_DOC
! Generate all possible determinants for a give occ_pattern
! Generate all possible determinants for a given occ_pattern
!
! Input :
! o : occupation pattern : (doubly occupied, singly occupied)
! sze : Number of produced determinants, computed by `occ_pattern_to_dets_size`
! n_alpha : Number of $\alpha$ electrons
! Nint : N_int
!
! Output:
! d : determinants
!
END_DOC
integer ,intent(in) :: Nint
integer ,intent(in) :: n_alpha ! Number of alpha electrons