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code:force_env_calc_energy_force

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code:force_env_calc_energy_force [2015/01/24 16:22] oschuettcode:force_env_calc_energy_force [2020/08/21 10:15] (current) – external edit 127.0.0.1
Line 10: Line 10:
 MIXED [tooltip="Combine two force-environmens"];  MIXED [tooltip="Combine two force-environmens"]; 
 QMMM [tooltip="Hybrid quantum classical"]; QMMM [tooltip="Hybrid quantum classical"];
-QUICKSTEP [tooltip="Electronic structure methods (DFT, ...)"];+QUICKSTEP [tooltip="Electronic structure methods (DFT, ...)", URL="http://cp2k.org/code:qs_forces"];
  
 method -> EIP; method -> EIP;
Line 17: Line 17:
 method -> QMMM; method -> QMMM;
 method -> QUICKSTEP; method -> QUICKSTEP;
 +
 +
 +return [shape=ellipse, label="RETURN"];
 +EIP -> return;
 +FIST -> return;
 +MIXED -> return;
 +QMMM -> return;
 +QUICKSTEP -> return;
  
  
 } }
 </graphviz> </graphviz>
code/force_env_calc_energy_force.1422116558.txt.gz · Last modified: 2020/08/21 10:14 (external edit)