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code:ls_scf_initial_guess

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code:ls_scf_initial_guess [2015/01/24 19:29] oschuettcode:ls_scf_initial_guess [2015/01/24 20:56] oschuett
Line 1: Line 1:
 <graphviz dot> <graphviz dot>
 digraph ls_scf_initial_guess { digraph ls_scf_initial_guess {
-start [shape=ellipse, label="ls_scf_initial_guess()"];+start [shape=ellipse, label="ls_scf_initial_guess()", width=1];
  
 node [shape=box, width=3.5]; node [shape=box, width=3.5];
Line 8: Line 8:
   rank=same;   rank=same;
   if_hist [shape=diamond, label="Has prev. DM?"];   if_hist [shape=diamond, label="Has prev. DM?"];
-  do_aspc [label="Extrapolate DM with ASPC", width=4, URL=http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_EXTRAPOLATION_ORDER"];+  do_aspc [label="Extrapolate DM with ASPC", width=4, URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#list_EXTRAPOLATION_ORDER"];
   if_hist -> do_aspc [label="yes", minlen=1.5];   if_hist -> do_aspc [label="yes", minlen=1.5];
 } }
Line 42: Line 42:
 do_mcweeny      -> if_trans [weight=0]; do_mcweeny      -> if_trans [weight=0];
  
-return [shape=ellipse, label="RETURN"];+return [shape=ellipse, label="RETURN", width=1];
  
 if_trans -> return [label="no", minlen=1]; if_trans -> return [label="no", minlen=1];
code/ls_scf_initial_guess.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1