Go to the source code of this file.
|
subroutine, public | qs_integrate_potential_product::integrate_v_dbasis (v_rspace, matrix_vhxc_dbasis, matrix_p, qs_env, lambda) |
| Integrate a potential v_rspace over the derivatives of the basis functions < da/dR | V | b > + < a | V | db/dR > Adapted from the old version of integrate_v_rspace (ED) More...
|
|
subroutine, public | qs_integrate_potential_product::integrate_v_rspace (v_rspace, hmat, hmat_kp, pmat, pmat_kp, qs_env, calculate_forces, force_adm, compute_tau, gapw, basis_type, pw_env_external, task_list_external) |
| computes matrix elements corresponding to a given potential More...
|
|