User Tools

Site Tools


code:start

This is an old revision of the document!


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: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 /\nENERGY_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.1421783211.txt.gz · Last modified: 2020/08/21 10:14 (external edit)