LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-24 13:23:41 +01:00
Code Issues Releases Wiki Activity

Fixed bug introduced in 98b2384d43

Browse Source
This commit is contained in:
Anthony Scemama 2018-09-21 11:13:38 +02:00
parent 1139d31fbb
commit 5e19eb4aaa
1 changed files with 12 additions and 11 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

23
src/Determinants/occ_pattern.irp.f
View File

@ -61,17 +61,18 @@ subroutine occ_pattern_to_dets(o,d,sze,n_alpha,Nint)
amax -= popcnt( o(k,2) )
enddo
nt = 0
ishift = 2
do i=1,Nint
l = o(i,1)
do while (l /= 0_bit_kind)
nt = nt+1
list_todo(nt) = ishift+popcnt(l-1_bit_kind) - popcnt(l)
l = iand(l,l-1_bit_kind)
enddo
ishift = ishift + bit_kind_size
enddo
call bitstring_to_list(o(1,1), list_todo, nt, Nint)
! nt = 0
! ishift = 2
! do i=1,Nint
! l = o(i,1)
! do while (l /= 0_bit_kind)
! nt = nt+1
! list_todo(nt) = ishift+popcnt(l-1_bit_kind) - popcnt(l)
! l = iand(l,l-1_bit_kind)
! enddo
! ishift = ishift + bit_kind_size
! enddo
na = 0
nd = 0