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fix bug in get_excitation_general

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This commit is contained in:
Yann Damour 2023-06-13 14:05:13 +02:00
parent 56b80288eb
commit 2f246780eb
2 changed files with 4 additions and 0 deletions
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2
src/utils_cc/org/phase.org
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@ -137,6 +137,7 @@ subroutine get_excitation_general(det1,det2,degree,n,list_anni,list_crea,phase,N
do j = 1, 2 do j = 1, 2
k = 1 k = 1
do i = 1, n1(j) do i = 1, n1(j)
if (k > n_anni(j)) exit
if (l1(i,j) /= list_anni(k,j)) cycle if (l1(i,j) /= list_anni(k,j)) cycle
pos_anni(k,j) = i pos_anni(k,j) = i
k = k + 1 k = k + 1
@ -147,6 +148,7 @@ subroutine get_excitation_general(det1,det2,degree,n,list_anni,list_crea,phase,N
do j = 1, 2 do j = 1, 2
k = 1 k = 1
do i = 1, n2(j) do i = 1, n2(j)
if (k > n_crea(j)) exit
if (l2(i,j) /= list_crea(k,j)) cycle if (l2(i,j) /= list_crea(k,j)) cycle
pos_crea(k,j) = i pos_crea(k,j) = i
k = k + 1 k = k + 1

2
src/utils_cc/phase.irp.f
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@ -96,6 +96,7 @@ subroutine get_excitation_general(det1,det2,degree,n,list_anni,list_crea,phase,N
do j = 1, 2 do j = 1, 2
k = 1 k = 1
do i = 1, n1(j) do i = 1, n1(j)
if (k > n_anni(j)) exit
if (l1(i,j) /= list_anni(k,j)) cycle if (l1(i,j) /= list_anni(k,j)) cycle
pos_anni(k,j) = i pos_anni(k,j) = i
k = k + 1 k = k + 1
@ -106,6 +107,7 @@ subroutine get_excitation_general(det1,det2,degree,n,list_anni,list_crea,phase,N
do j = 1, 2 do j = 1, 2
k = 1 k = 1
do i = 1, n2(j) do i = 1, n2(j)
if (k > n_crea(j)) exit
if (l2(i,j) /= list_crea(k,j)) cycle if (l2(i,j) /= list_crea(k,j)) cycle
pos_crea(k,j) = i pos_crea(k,j) = i
k = k + 1 k = k + 1