From 578bc432687e5a8a3f50772d7ab5270a63ebc4b4 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Wed, 13 Oct 2021 16:44:19 +0200 Subject: [PATCH] Fix tests for det_inv_matrix. #41 --- org/qmckl_local_energy.org | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/org/qmckl_local_energy.org b/org/qmckl_local_energy.org index 5cb806b..33d2cbb 100644 --- a/org/qmckl_local_energy.org +++ b/org/qmckl_local_energy.org @@ -697,13 +697,13 @@ assert (rc == QMCKL_SUCCESS); // Get adjoint of the slater-determinant -double det_inv_matrix_alpha[det_num_alpha][walk_num][5][elec_up_num][elec_up_num]; -double det_inv_matrix_beta[det_num_beta][walk_num][5][elec_dn_num][elec_dn_num]; +double det_inv_matrix_alpha[det_num_alpha][walk_num][elec_up_num][elec_up_num]; +double det_inv_matrix_beta[det_num_beta][walk_num][elec_dn_num][elec_dn_num]; -rc = qmckl_get_det_inv_matrix_alpha(context, &(det_inv_matrix_alpha[0][0][0][0][0])); +rc = qmckl_get_det_inv_matrix_alpha(context, &(det_inv_matrix_alpha[0][0][0][0])); assert (rc == QMCKL_SUCCESS); -rc = qmckl_get_det_inv_matrix_beta(context, &(det_inv_matrix_beta[0][0][0][0][0])); +rc = qmckl_get_det_inv_matrix_beta(context, &(det_inv_matrix_beta[0][0][0][0])); assert (rc == QMCKL_SUCCESS); // Calculate the Kinetic energy