code:force_env_calc_energy_force
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<graphviz dot> digraph cp2k { start [shape=ellipse, label=“force_env_calc_energy_force()”]; method [shape=diamond, label=“METHOD?”, URL=“http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html#desc_METHOD”]; start → method;
node [shape=box]; EIP [tooltip=“Empirical Interatomic Potential”]; EP [tooltip=“Non-orthogonal perturbation”]; FIST [tooltip=“Classical Force Fields”]; MIXED [tooltip=“Combine two force-environmens”]; QMMM [tooltip=“Hybrid quantum classical”]; QUICKSTEP [tooltip=“Electronic structure methods (DFT, …)”];
method → EIP; method → EP; method → FIST; method → MIXED; method → QMMM; method → QUICKSTEP;
} </graphviz>
code/force_env_calc_energy_force.1421787425.txt.gz · Last modified: 2020/08/21 10:14 (external edit)