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code:force_env_calc_energy_force

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code:force_env_calc_energy_force [2015/01/20 20:57]
oschuett created
code:force_env_calc_energy_force [2015/01/25 14:40]
oschuett
Line 7: Line 7:
 node [shape=box];​ node [shape=box];​
 EIP [tooltip="​Empirical Interatomic Potential"​];​ EIP [tooltip="​Empirical Interatomic Potential"​];​
-EP [tooltip="​Non-orthogonal perturbation"​];​ 
 FIST [tooltip="​Classical Force Fields"​];​ FIST [tooltip="​Classical Force Fields"​];​
 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;
-method -> EP; 
 method -> FIST; method -> FIST;
 method -> MIXED; method -> MIXED;
 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.txt ยท Last modified: 2015/01/25 14:40 by oschuett