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Fix tests for det_inv_matrix. #41

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v1j4y 2021-10-13 16:44:19 +02:00
parent befc1a75fa
commit 578bc43268
1 changed files with 4 additions and 4 deletions
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org/qmckl_local_energy.org
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@ -697,13 +697,13 @@ assert (rc == QMCKL_SUCCESS);
// Get adjoint of the slater-determinant // 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_alpha[det_num_alpha][walk_num][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_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); 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); assert (rc == QMCKL_SUCCESS);
// Calculate the Kinetic energy // Calculate the Kinetic energy