From 93083fbdfeed48137d17bb4ee4f87d2fbba55eda Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 26 Jan 2023 17:55:06 +0100 Subject: [PATCH] Fixed shadowed variables --- org/qmckl_jastrow.org | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index c5856ef..039756d 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -2669,7 +2669,6 @@ qmckl_exit_code qmckl_compute_factor_ee_deriv_e_hpc( const double* ee_distance_rescaled_deriv_e, double* const factor_ee_deriv_e ) { - int64_t ii; double pow_ser_g[3]; double dx[4]; double x, spin_fact, y; @@ -2756,7 +2755,7 @@ qmckl_exit_code qmckl_compute_factor_ee_deriv_e_hpc( + pow_ser_g[ii] ; } - ii = 3; + int ii = 3; lap2 = lap2 * dx[ii] * third; lap3 = lap3 + den * dx[ii]; lap3 = lap3 * (spin_fact * b_vector[0] * invden3); @@ -4991,7 +4990,6 @@ qmckl_exit_code qmckl_compute_een_rescaled_e_hpc ( double x; const int64_t elec_pairs = (elec_num * (elec_num - 1)) / 2; const int64_t len_een_ij = elec_pairs * (cord_num + 1); - int64_t k; // number of elements for the een_rescaled_e_ij[N_e*(N_e-1)/2][cord+1] // probably in C is better [cord+1, Ne*(Ne-1)/2] @@ -5025,7 +5023,7 @@ qmckl_exit_code qmckl_compute_een_rescaled_e_hpc ( een_rescaled_e_ij[kk]= ( kk < (elec_pairs) ? 1.0 : 0.0 ); } - k = 0; + int64_t k = 0; for (int i = 0; i < elec_num; ++i) { for (int j = 0; j < i; ++j) { // een_rescaled_e_ij(k, 2) = dexp(-rescale_factor_ee * ee_distance(i, j, nw));