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code:start

Flow Chart of CP2K

<graphviz dot> digraph cp2k {

node [shape=box];
prog [shape=diamond, label="PROGRAM_NAME ?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#desc_PROGRAM_NAME"];
Start [shape=ellipse];
Start -> prog;
prog -> ATOM;
prog -> MC_ANALYSIS;
prog -> OPTIMIZE_BASIS;
prog -> OPTIMIZE_INPUT;
prog -> CP2K;
prog -> SWARM; SWARM[URL="http://cp2k.org/code:run_swarm"];
prog -> TEST;
prog -> TMC;
prog -> FARMING;
FARMING -> Start [constraint = false];
runtype [shape=diamond, label="RUN_TYPE?", URL="http://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#desc_RUN_TYPE"];
create_force_env [label="create_force_env()"];
CP2K -> create_force_env
create_force_env-> runtype;
runtype -> BSSE;
runtype -> "GEO_OPT /\nCELL_OPT";
runtype -> DEBUG;
runtype -> DRIVER;
runtype -> EHRENFEST_DYN;
runtype -> ENERGY_FORCE; ENERGY_FORCE[label="ENERGY /\nENERGY_FORCE", URL="http://cp2k.org/code:force_env_calc_energy_force"];
runtype -> LR;
runtype -> MC;
runtype -> MD;
runtype -> NONE;
runtype -> NORMAL_MODES;
runtype -> "PINT /\nBAND";
runtype -> RT_PROPAGATION;
runtype -> SPECTRA;
runtype -> TAMC;

} </graphviz>

code/start.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1