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Bug in bit_tmp

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Manu 2014-11-13 10:43:26 +01:00
parent 5a49f18d65
commit 66ab8d5e2a
1 changed files with 4 additions and 1 deletions
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5
src/Dets/determinants.irp.f
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@ -133,7 +133,9 @@ END_PROVIDER
!$DIR FORCEINLINE !$DIR FORCEINLINE
bit_tmp(i) = occ_pattern_search_key(psi_occ_pattern(1,1,i),N_int) bit_tmp(i) = occ_pattern_search_key(psi_occ_pattern(1,1,i),N_int)
enddo enddo
print*,'passed 1'
call i8sort(bit_tmp,iorder,N_det) call i8sort(bit_tmp,iorder,N_det)
print*,'passed 2'
!DIR$ IVDEP !DIR$ IVDEP
do i=1,N_det do i=1,N_det
do k=1,N_int do k=1,N_int
@ -149,7 +151,7 @@ END_PROVIDER
duplicate(i) = .False. duplicate(i) = .False.
enddo enddo
do i=1,N_det do i=1,N_det-1
if (duplicate(i)) then if (duplicate(i)) then
cycle cycle
endif endif
@ -173,6 +175,7 @@ END_PROVIDER
endif endif
enddo enddo
enddo enddo
print*,'passed 3'
N_occ_pattern=0 N_occ_pattern=0
do i=1,N_det do i=1,N_det