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code:ls_scf [2015/01/24 20:45] oschuettcode:ls_scf [2015/01/24 20:54] oschuett
Line 2: Line 2:
 digraph ls_scf { digraph ls_scf {
     splines="ortho";     splines="ortho";
-start [shape=ellipse, label="ls_scf()"];+start [shape=ellipse, label="ls_scf()", width=1];
  
 node [shape=box, width=4]; node [shape=box, width=4];
Line 14: Line 14:
 { {
   rank=same;   rank=same;
-  if_precon_ks [shape=diamond, label="S-Preconditioner?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_S_PRECONDITIONER"];+  if_precon_ks [shape=diamond, label="S_PRECONDITIONER?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_S_PRECONDITIONER"];
   do_precon_ks [label="Precondition KS-matrix", width=3];   do_precon_ks [label="Precondition KS-matrix", width=3];
   if_precon_ks -> do_precon_ks [taillabel="yes", minlen=1.5];   if_precon_ks -> do_precon_ks [taillabel="yes", minlen=1.5];
Line 58: Line 58:
 { {
   rank=same;   rank=same;
-  if_precon_p [shape=diamond, label="S-Preconditioner?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_S_PRECONDITIONER"];+  if_precon_p [shape=diamond, label="S_PRECONDITIONER?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_S_PRECONDITIONER"];
   do_precon_p [label="Precondition P-matrix", width=3];   do_precon_p [label="Precondition P-matrix", width=3];
   if_precon_p -> do_precon_p [taillabel="yes", minlen=1.5];   if_precon_p -> do_precon_p [taillabel="yes", minlen=1.5];
Line 85: Line 85:
 if_converged -> do_post[taillabel="yes", minlen=1.5]; if_converged -> do_post[taillabel="yes", minlen=1.5];
  
-return [shape=ellipse, label="RETURN"];+return [shape=ellipse, label="RETURN", width=1];
 do_post -> return; do_post -> return;
  
 } }
 </graphviz> </graphviz>
code/ls_scf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1