LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-19 19:52:15 +02:00
Code Issues Releases Wiki Activity

Filter_connected accelerated

Browse Source
This commit is contained in:
Anthony Scemama 2015-11-25 02:01:40 +01:00
parent d05c851ba6
commit bef37a721c
1 changed files with 11 additions and 19 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

30
src/Determinants/filter_connected.irp.f
View File

@ -130,9 +130,7 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
do i=1,sze
degree_x2 = popcnt(xor( key1(1,1,i), key2(1,1))) + &
popcnt(xor( key1(1,2,i), key2(1,2)))
if (degree_x2 > 4) then
cycle
else if(degree_x2 /= 0)then
if (degree_x2 <= 4) then
idx(l) = i
l = l+1
endif
@ -146,9 +144,7 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
popcnt(xor( key1(2,1,i), key2(2,1))) + &
popcnt(xor( key1(1,2,i), key2(1,2))) + &
popcnt(xor( key1(2,2,i), key2(2,2)))
if (degree_x2 > 4) then
cycle
else if(degree_x2 /= 0)then
if (degree_x2 <= 4) then
idx(l) = i
l = l+1
endif
@ -164,9 +160,7 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
popcnt(xor( key1(2,2,i), key2(2,2))) + &
popcnt(xor( key1(3,1,i), key2(3,1))) + &
popcnt(xor( key1(3,2,i), key2(3,2)))
if (degree_x2 > 4) then
cycle
else if(degree_x2 /= 0)then
if (degree_x2 <= 4) then
idx(l) = i
l = l+1
endif
@ -174,6 +168,8 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
else
integer, save :: icount(4) = (/0,0,0,0/)
!DIR$ LOOP COUNT (1000)
outer: do i=1,sze
degree_x2 = 0
@ -181,21 +177,17 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
do m=1,Nint
if ( key1(m,1,i) /= key2(m,1)) then
degree_x2 = degree_x2+ popcnt(xor( key1(m,1,i), key2(m,1)))
if (degree_x2 > 4) then
cycle outer
endif
endif
if ( key1(m,2,i) /= key2(m,2)) then
degree_x2 = degree_x2+ popcnt(xor( key1(m,2,i), key2(m,2)))
if (degree_x2 > 4) then
cycle outer
endif
endif
if (degree_x2 > 4) then
cycle outer
endif
enddo
if(degree_x2 /= 0)then
idx(l) = i
l = l+1
endif
idx(l) = i
l = l+1
icount(3) = icount(3) + 1_8
enddo outer
endif