<graphviz dot>
digraph qs_forces {
#splines="ortho";
node [shape=box, width=4];

start [shape=ellipse, label="qs_forces()", width=1];

zero[label="CALL zero_qs_force()"];
start -> zero;

qs_energies[label="CALL qs_energies(calc_forces=TRUE)", URL="http://cp2k.org/code:qs_energies"];
zero -> qs_energies;

{
  rank=same;
  if_rtp [shape=diamond, label="RTP ?"];
  do_rtp [label="Calc RTP forces", width=3];
  if_rtp -> do_rtp [label="yes", minlen=1.5];
}
qs_energies->if_rtp;

{
  rank=same;
  if_mulliken[shape=diamond, label="MULLIKEN_RESTR. ?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/QS/MULLIKEN_RESTRAINT.html"];
  do_mulliken[label="CALL mulliken_restraint()", width=3];
  if_mulliken -> do_mulliken [label="yes", minlen=1.5];
}
if_rtp -> if_mulliken [label="no", minlen=1];
do_rtp -> if_mulliken [weight=0];

{
  rank=same;
  if_dft_u[shape=diamond, label="DFT+U ?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/DFT_PLUS_U.html"];
  do_dft_u[label="CALL plus_u(matrix_w)", width=3];
  if_dft_u -> do_dft_u [label="yes", minlen=1.5];
}
if_mulliken -> if_dft_u [label="no", minlen=1];
do_mulliken -> if_dft_u [weight=0];

core_matrix[label="CALL build_core_matrix(calc_forces=TRUE)"];
if_dft_u -> core_matrix [label="no", minlen=1];
do_dft_u -> core_matrix [weight=0];


ks_update[label="CALL qs_ks_update_qs_env(calc_forces=TRUE)"];
core_matrix -> ks_update;

{
  rank=same;
  if_mp2[shape=diamond, label="MP2 ?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION.html"];
  do_mp2[label="Calc MP2 forces", width=3];
  if_mp2 -> do_mp2 [label="yes", minlen=1.5];
}
ks_update -> if_mp2;

{
  rank=same;
  if_admm[shape=diamond, label="ADMM-MO?"];
  do_admm[label="CALL calc_aux_mo_derivs()\nCALL calc_mixed_overlap_force()", width=3];
  if_admm -> do_admm[label="yes", minlen=1.5];
}
if_mp2 -> if_admm [label="no", minlen=1];
do_mp2 -> if_admm [weight=0];

sum[label="Sum all force contributions"];
if_admm -> sum [label="no", minlen=1];
do_admm -> sum [weight=0];


{
  rank=same;
  if_virial[shape=diamond, label="virial%pv_availability?"];
  do_virial[label="Distribute virial", width=3];
  if_virial -> do_virial[label="yes", minlen=1.5];
}
sum -> if_virial;

dealloc[label="Dellocate W-matrix"];
if_virial -> dealloc [label="no", minlen=1];
do_virial -> dealloc [weight=0];

return [shape=ellipse, label="RETURN", width=1];
dealloc -> return;

}
</graphviz>