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Fixed ee_distances_rescaled_deriv_e.

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v1j4y 2022-02-11 15:37:55 +01:00
parent 88e2f62d7f
commit 3348781cc2
1 changed files with 4 additions and 4 deletions
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@ -1999,10 +1999,10 @@ integer function qmckl_compute_factor_ee_deriv_e_f(context, walk_num, elec_num,
xinv = 1.0d0 / (x + 1.0d-18)
ipar = 1
dx(ii) = ee_distance_rescaled_deriv_e(1, i, j, nw) &
+ ee_distance_rescaled_deriv_e(2, i, j, nw) &
+ ee_distance_rescaled_deriv_e(3, i, j, nw) &
+ ee_distance_rescaled_deriv_e(4, i, j, nw)
dx(1) = ee_distance_rescaled_deriv_e(1, i, j, nw)
dx(2) = ee_distance_rescaled_deriv_e(2, i, j, nw)
dx(3) = ee_distance_rescaled_deriv_e(3, i, j, nw)
dx(4) = ee_distance_rescaled_deriv_e(4, i, j, nw)
if((i .LE. up_num .AND. j .LE. up_num ) .OR. &
(i .GT. up_num .AND. j .GT. up_num)) then