LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 03:23:29 +01:00
Code Releases Activity

Documentation

Browse Source
This commit is contained in:
Anthony Scemama 2019-06-21 12:08:58 +02:00
parent 72f920e111
commit 03003690ed
1 changed files with 11 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
src/determinants/occ_pattern.irp.f
View File

@ -53,7 +53,17 @@ subroutine occ_pattern_to_dets(o,d,sze,n_alpha,Nint)
use bitmasks use bitmasks
implicit none implicit none
BEGIN_DOC 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 END_DOC
integer ,intent(in) :: Nint integer ,intent(in) :: Nint
integer ,intent(in) :: n_alpha ! Number of alpha electrons integer ,intent(in) :: n_alpha ! Number of alpha electrons