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Code Issues Releases Wiki Activity

Removed debug

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This commit is contained in:
Anthony Scemama 2016-07-15 15:31:16 +02:00
parent 1bb1575da2
commit 6492f613a1
4 changed files with 4 additions and 14 deletions
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2
ocaml/Address.ml
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@ -42,7 +42,7 @@ end = struct
assert (String.is_prefix ~prefix:"inproc://" x);
x
let create name =
Printf.sprintf "ipc://%s" name
Printf.sprintf "inproc://%s" name
let to_string x = x
end

9
src/Determinants/connected_to_ref.irp.f
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@ -109,8 +109,6 @@ integer function get_index_in_psi_det_sorted_bit(key,Nint)
continue
else
in_wavefunction = .True.
!DIR$ IVDEP
!DIR$ LOOP COUNT MIN(3)
do l=2,Nint
if ( (key(l,1) /= psi_det_sorted_bit(l,1,i)).or. &
(key(l,2) /= psi_det_sorted_bit(l,2,i)) ) then
@ -175,7 +173,6 @@ logical function is_connected_to(key,keys,Nint,Ndet)
do i=1,Ndet
degree_x2 = popcnt(xor( key(1,1), keys(1,1,i))) + &
popcnt(xor( key(1,2), keys(1,2,i)))
!DEC$ LOOP COUNT MIN(3)
do l=2,Nint
degree_x2 = degree_x2 + popcnt(xor( key(l,1), keys(l,1,i))) +&
popcnt(xor( key(l,2), keys(l,2,i)))
@ -208,7 +205,6 @@ logical function is_connected_to_by_mono(key,keys,Nint,Ndet)
do i=1,Ndet
degree_x2 = popcnt(xor( key(1,1), keys(1,1,i))) + &
popcnt(xor( key(1,2), keys(1,2,i)))
!DEC$ LOOP COUNT MIN(3)
do l=2,Nint
degree_x2 = degree_x2 + popcnt(xor( key(l,1), keys(l,1,i))) +&
popcnt(xor( key(l,2), keys(l,2,i)))
@ -302,10 +298,12 @@ integer function connected_to_ref(key,keys,Nint,N_past_in,Ndet)
do i=N_past-1,1,-1
degree_x2 = popcnt(xor( key(1,1), keys(1,1,i))) + &
popcnt(xor( key(1,2), keys(1,2,i)))
!DEC$ LOOP COUNT MIN(3)
do l=2,Nint
degree_x2 = degree_x2 + popcnt(xor( key(l,1), keys(l,1,i))) +&
popcnt(xor( key(l,2), keys(l,2,i)))
if (degree_x2 > 4) then
exit
endif
enddo
if (degree_x2 > 4) then
cycle
@ -406,7 +404,6 @@ integer function connected_to_ref_by_mono(key,keys,Nint,N_past_in,Ndet)
do i=N_past-1,1,-1
degree_x2 = popcnt(xor( key(1,1), keys(1,1,i))) + &
popcnt(xor( key(1,2), keys(1,2,i)))
!DEC$ LOOP COUNT MIN(3)
do l=2,Nint
degree_x2 = degree_x2 + popcnt(xor( key(l,1), keys(l,1,i))) +&
popcnt(xor( key(l,2), keys(l,2,i)))

2
src/Determinants/filter_connected.irp.f
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@ -299,7 +299,6 @@ 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
@ -317,7 +316,6 @@ subroutine filter_connected_i_H_psi0(key1,key2,Nint,sze,idx)
enddo
idx(l) = i
l = l+1
icount(3) = icount(3) + 1_8
enddo outer
endif

5
src/Determinants/slater_rules.irp.f
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@ -1249,7 +1249,6 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
l=1
if (Nint==1) then
!DIR$ LOOP COUNT (1000)
do i=1,sze
d = popcnt(xor( key1(1,1,i), key2(1,1))) + &
popcnt(xor( key1(1,2,i), key2(1,2)))
@ -1264,7 +1263,6 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
else if (Nint==2) then
!DIR$ LOOP COUNT (1000)
do i=1,sze
d = popcnt(xor( key1(1,1,i), key2(1,1))) + &
popcnt(xor( key1(1,2,i), key2(1,2))) + &
@ -1281,7 +1279,6 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
else if (Nint==3) then
!DIR$ LOOP COUNT (1000)
do i=1,sze
d = popcnt(xor( key1(1,1,i), key2(1,1))) + &
popcnt(xor( key1(1,2,i), key2(1,2))) + &
@ -1300,10 +1297,8 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
else
!DIR$ LOOP COUNT (1000)
do i=1,sze
d = 0
!DIR$ LOOP COUNT MIN(4)
do m=1,Nint
d = d + popcnt(xor( key1(m,1,i), key2(m,1))) &
+ popcnt(xor( key1(m,2,i), key2(m,2)))