mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-06-30 00:44:52 +02:00
Fix tests for det_inv_matrix. #41
This commit is contained in:
parent
befc1a75fa
commit
578bc43268
|
@ -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
|
||||||
|
|
Loading…
Reference in New Issue
Block a user