From 3348781cc2db9cbe64f07719feb3c784cf1cd5eb Mon Sep 17 00:00:00 2001 From: v1j4y Date: Fri, 11 Feb 2022 15:37:55 +0100 Subject: [PATCH] Fixed ee_distances_rescaled_deriv_e. --- org/qmckl_jastrow.org | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 3d792f7..121894e 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -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