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code:ls_scf [2015/01/24 20:40] oschuettcode:ls_scf [2015/01/24 20:45] oschuett
Line 20: Line 20:
 do_qs_to_ls -> if_precon_ks; do_qs_to_ls -> if_precon_ks;
  
-do_filter_ks[label="Filer KS-matrix with EPS_FILTER", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#desc_EPS_FILTER"]+do_filter_ks[label="Filter KS-matrix with EPS_FILTER", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF.html#desc_EPS_FILTER"]
 if_precon_ks -> do_filter_ks[label="no"]; if_precon_ks -> do_filter_ks[label="no"];
 do_precon_ks   -> do_filter_ks[weight=0]; do_precon_ks   -> do_filter_ks[weight=0];
Line 26: Line 26:
 { {
   rank=same;   rank=same;
-  if_curvy [shape=diamond, label="CURVY_STEPS and\npurified matrix-P exits?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CURVY_STEPS.html"];+  if_curvy [shape=diamond, label="CURVY_STEPS and\npurified P-matrix exits?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CURVY_STEPS.html"];
   do_curvy [label="CALL dm_ls_curvy_optimization()", width=3];   do_curvy [label="CALL dm_ls_curvy_optimization()", width=3];
   if_curvy -> do_curvy [taillabel="yes", minlen=1.5];   if_curvy -> do_curvy [taillabel="yes", minlen=1.5];
code/ls_scf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1