diff --git a/org/qmckl_local_energy.org b/org/qmckl_local_energy.org index 903a259..6b9b4ce 100644 --- a/org/qmckl_local_energy.org +++ b/org/qmckl_local_energy.org @@ -833,7 +833,7 @@ qmckl_exit_code qmckl_provide_potential_energy(qmckl_context context) { NULL); } - rc = qmckl_provide_ee_potential(ctx); + rc = qmckl_provide_ee_potential(context); if (rc != QMCKL_SUCCESS) { return qmckl_failwith( context, QMCKL_NOT_PROVIDED, @@ -841,7 +841,7 @@ qmckl_exit_code qmckl_provide_potential_energy(qmckl_context context) { NULL); } - rc = qmckl_provide_nucleus_repulsion(ctx); + rc = qmckl_provide_nucleus_repulsion(context); if (rc != QMCKL_SUCCESS) { return qmckl_failwith( context, QMCKL_NOT_PROVIDED, @@ -849,7 +849,7 @@ qmckl_exit_code qmckl_provide_potential_energy(qmckl_context context) { NULL); } - rc = qmckl_provide_en_potential(ctx); + rc = qmckl_provide_en_potential(context); if (rc != QMCKL_SUCCESS) { return qmckl_failwith( context, QMCKL_NOT_PROVIDED, @@ -954,7 +954,7 @@ integer function qmckl_compute_potential_energy_f(context, walk_num, & e_pot = 0.0d0 + repulsion do iwalk = 1, walk_num - e_pot(iwalk) = e_pot(iwalk) + ee_pot(iwalk) + en_pot(iwalk) + e_pot(iwalk) = e_pot(iwalk) + en_pot(iwalk) + ee_pot(iwalk) end do end function qmckl_compute_potential_energy_f