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Code Issues Releases Wiki Activity

Bug when N_int > 4 corrected

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This commit is contained in:
Anthony Scemama 2015-02-23 19:24:21 +01:00
parent e37bc2c15f
commit fa725b305e
1 changed files with 14 additions and 14 deletions
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28
src/Dets/filter_connected.irp.f
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@ -307,7 +307,7 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
integer(bit_kind), intent(in) :: key2(Nint,2) integer(bit_kind), intent(in) :: key2(Nint,2)
integer, intent(out) :: idx(0:sze) integer, intent(out) :: idx(0:sze)
integer :: i,l integer :: i,l,m
integer :: degree_x2 integer :: degree_x2
ASSERT (Nint > 0) ASSERT (Nint > 0)
@ -370,9 +370,9 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
do i=1,sze do i=1,sze
degree_x2 = 0 degree_x2 = 0
!DEC$ LOOP COUNT MIN(4) !DEC$ LOOP COUNT MIN(4)
do l=1,Nint do m=1,Nint
degree_x2 = degree_x2+ popcnt(xor( key1(l,1,i), key2(l,1))) +& degree_x2 = degree_x2+ popcnt(xor( key1(m,1,i), key2(m,1))) +&
popcnt(xor( key1(l,2,i), key2(l,2))) popcnt(xor( key1(m,2,i), key2(m,2)))
if (degree_x2 > 4) then if (degree_x2 > 4) then
exit exit
endif endif
@ -409,7 +409,7 @@ subroutine filter_connected_i_H_psi0_SC2(key1,key2,Nint,sze,idx,idx_repeat)
integer, intent(out) :: idx(0:sze) integer, intent(out) :: idx(0:sze)
integer, intent(out) :: idx_repeat(0:sze) integer, intent(out) :: idx_repeat(0:sze)
integer :: i,l,l_repeat integer :: i,l,l_repeat,m
integer :: degree_x2 integer :: degree_x2
ASSERT (Nint > 0) ASSERT (Nint > 0)
@ -420,9 +420,9 @@ subroutine filter_connected_i_H_psi0_SC2(key1,key2,Nint,sze,idx,idx_repeat)
degree = popcnt(xor( ref_bitmask(1,1), key2(1,1))) + & degree = popcnt(xor( ref_bitmask(1,1), key2(1,1))) + &
popcnt(xor( ref_bitmask(1,2), key2(1,2))) popcnt(xor( ref_bitmask(1,2), key2(1,2)))
!DEC$ NOUNROLL !DEC$ NOUNROLL
do l=2,Nint do m=2,Nint
degree = degree+ popcnt(xor( ref_bitmask(l,1), key2(l,1))) + & degree = degree+ popcnt(xor( ref_bitmask(m,1), key2(m,1))) + &
popcnt(xor( ref_bitmask(l,2), key2(l,2))) popcnt(xor( ref_bitmask(m,2), key2(m,2)))
enddo enddo
degree = ishft(degree,-1) degree = ishft(degree,-1)
@ -492,9 +492,9 @@ subroutine filter_connected_i_H_psi0_SC2(key1,key2,Nint,sze,idx,idx_repeat)
do i=1,sze do i=1,sze
degree_x2 = 0 degree_x2 = 0
!DEC$ LOOP COUNT MIN(4) !DEC$ LOOP COUNT MIN(4)
do l=1,Nint do m=1,Nint
degree_x2 = degree_x2+ popcnt(xor( key1(l,1,i), key2(l,1))) +& degree_x2 = degree_x2+ popcnt(xor( key1(m,1,i), key2(m,1))) +&
popcnt(xor( key1(l,2,i), key2(l,2))) popcnt(xor( key1(m,2,i), key2(m,2)))
if (degree_x2 > 4) then if (degree_x2 > 4) then
exit exit
endif endif
@ -576,9 +576,9 @@ subroutine filter_connected_i_H_psi0_SC2(key1,key2,Nint,sze,idx,idx_repeat)
do i=1,sze do i=1,sze
degree_x2 = 0 degree_x2 = 0
!DEC$ LOOP COUNT MIN(4) !DEC$ LOOP COUNT MIN(4)
do l=1,Nint do m=1,Nint
degree_x2 = degree_x2+ popcnt(xor( key1(l,1,i), key2(l,1))) +& degree_x2 = degree_x2+ popcnt(xor( key1(m,1,i), key2(m,1))) +&
popcnt(xor( key1(l,2,i), key2(l,2))) popcnt(xor( key1(m,2,i), key2(m,2)))
if (degree_x2 > 4) then if (degree_x2 > 4) then
exit exit
endif endif