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Fixed tests

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This commit is contained in:
Anthony Scemama 2024-12-11 15:38:16 +01:00
parent 9c59d9f0cb
commit 6aa745ed38
2 changed files with 3 additions and 3 deletions
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4
org/qmckl_forces.org
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@ -980,7 +980,7 @@ function qmckl_compute_forces_jastrow_en_g_doc( &
integer*8 :: i, a, k, nw, ii, m,l
double precision :: x, x1, kf
double precision :: denom, invdenom, invdenom2, f, f2, expk, invdist
double precision :: dx(3)
double precision :: dx(4)
info = QMCKL_SUCCESS
@ -1395,7 +1395,7 @@ function qmckl_compute_forces_jastrow_en_l_doc( &
integer*8 :: i, a, k, nw, ii, m,l
double precision :: x, x1, kf
double precision :: denom, invdenom, invdenom2, f, f2, expk, invdist
double precision :: dx(3)
double precision :: dx(4)
info = QMCKL_SUCCESS

2
org/qmckl_jastrow_champ_single.org
View File

@ -614,7 +614,7 @@ integer(qmckl_exit_code) function qmckl_compute_single_ee_distance(context, &
do k=1,walk_num
info = qmckl_distance(context, 'T', 'T', 1_8, elec_num, &
single_coord(1,k), 1_8, &
coord(1,k,1), elec_num * walk_num * 1_8, &
coord(1,1,k), elec_num * walk_num * 1_8, &
single_ee_distance(1,k), 1_8)
if (info /= QMCKL_SUCCESS) then
exit