From bf8cec7f3cf39c3bb8b100675401304b60da4d8b Mon Sep 17 00:00:00 2001 From: Gianfranco Abrusci Date: Wed, 16 Feb 2022 18:09:02 +0100 Subject: [PATCH] reordered index in ee_distance_rescaled that makes sense --- org/qmckl_jastrow.org | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index a177d91..eabde1e 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -1735,7 +1735,8 @@ end function qmckl_compute_factor_ee_f factor_ee[nw] = 0.0; // put init array here. for (int i = 0; i < elec_num; ++i ) { for (int j = 0; j < i; ++j) { - x = ee_distance_rescaled[j * (walk_num * elec_num) + i * (walk_num) + nw]; + //x = ee_distance_rescaled[j * (walk_num * elec_num) + i * (walk_num) + nw]; + x = ee_distance_rescaled[j + i * elec_num + nw*(elec_num * elec_num)]; x1 = x; power_ser = 0.0; spin_fact = 1.0;