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Modulegraph

PLUMED Version 2.11

PLUMED is a composed of a modules that contain a variety of different functionalities but that share a common basic syntax. You can find all the modules that are available within PLUMED in the following graph. The graph also shows the interdependencies between the various modules. If you click on the modules in the graph module-specific information will open. The colors of the nodes in the graph below indicate whether the module is always compiled (blue), on by default (green) or off by default (red). If you need a feature from a module that is by default off you need to explicitly tell PLUMED to include it during the configure stage by using:

./configure --enable-module=module-name

Each module contains implementations of a number of actions. You can find a list of all the actions implemented in in PLUMED here.

You can view the information about the modules in the graph above in a table by following the following link. 


%%{init: {"flowchart": {"defaultRenderer": "elk"}} }%%
flowchart TD
subgraph g0 [ ]
0("bias")
style 0 fill:green
1("generic")
style 1 fill:green
6("annfunc")
style 6 fill:red
39("pytorch")
style 39 fill:red
0~~~39;
end
12("function")
style 12 fill:green
12--> g0;
subgraph g2 [ ]
32("membranefusion")
style 32 fill:red
2("mapping")
style 2 fill:red
4("secondarystructure")
style 4 fill:green
38("piv")
style 38 fill:red
32~~~38;
8("volumes")
style 8 fill:red
2~~~8;
40("s2cm")
style 40 fill:red
4~~~40;
42("sizeshape")
style 42 fill:red
38~~~42;
14("crystdistrib")
style 14 fill:red
8~~~14;
17("landmarks")
style 17 fill:red
40~~~17;
end
5("colvar")
style 5 fill:green
5--> g2;
subgraph g3 [ ]
11("isdb")
style 11 fill:green
3("multicolvar")
style 3 fill:green
36("maze")
style 36 fill:red
31("funnel")
style 31 fill:red
11~~~31;
end
0--> g3;
5--> g3;
subgraph g10 [ ]
33("pamm")
style 33 fill:red
10("symfunc")
style 10 fill:red
16("clusters")
style 16 fill:red
19("gridtools")
style 19 fill:green
33~~~19;
27("envsim")
style 27 fill:red
10~~~27;
28("liquid_crystal")
style 28 fill:green
16~~~28;
end
3--> g10;
subgraph g13 [ ]
35("logmfd")
style 35 fill:red
13("ves")
style 13 fill:red
24("drr")
style 24 fill:red
25("opes")
style 25 fill:red
35~~~25;
26("eds")
style 26 fill:red
13~~~26;
29("fisst")
style 29 fill:red
24~~~29;
end
0--> g13;
subgraph g22 [ ]
44("wham")
style 44 fill:red
22("contour")
style 22 fill:red
30("fourier")
style 30 fill:red
end
19--> g22;
subgraph g34 [ ]
41("sasa")
style 41 fill:red
34("setup")
style 34 fill:green
37("metatomic")
style 37 fill:red
end
23("core")
style 23 fill:blue
23--> g34;
1-->7;
1-->18;
1-->20;
2-->9;
5-->7;
7("vatom")
style 7 fill:green
7-->5;
9("dimred")
style 9 fill:red
12-->15;
15("adjmat")
style 15 fill:red
15-->20;
17-->9;
18("valtools")
style 18 fill:blue
18-->12;
18-->15;
19-->9;
20("matrixtools")
style 20 fill:green
20-->15;
20-->21;
20-->43;
21("refdist")
style 21 fill:green
21-->5;
23-->12;
23-->18;
43("sprint")
style 43 fill:red
click 0 "../module_bias" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 1 "../module_generic" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 2 "../module_mapping" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 3 "../module_multicolvar" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 4 "../module_secondarystructure" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 5 "../module_colvar" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 6 "../module_annfunc" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 7 "../module_vatom" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 8 "../module_volumes" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 9 "../module_dimred" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 10 "../module_symfunc" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 11 "../module_isdb" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 12 "../module_function" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 13 "../module_ves" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 14 "../module_crystdistrib" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 15 "../module_adjmat" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 16 "../module_clusters" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 17 "../module_landmarks" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 18 "../module_valtools" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 19 "../module_gridtools" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 20 "../module_matrixtools" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 21 "../module_refdist" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 22 "../module_contour" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 23 "../module_core" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 24 "../module_drr" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 25 "../module_opes" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 26 "../module_eds" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 27 "../module_envsim" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 28 "../module_liquid_crystal" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 29 "../module_fisst" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 30 "../module_fourier" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 31 "../module_funnel" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 32 "../module_membranefusion" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 33 "../module_pamm" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 34 "../module_setup" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 35 "../module_logmfd" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 36 "../module_maze" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 37 "../module_metatomic" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 38 "../module_piv" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 39 "../module_pytorch" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 40 "../module_s2cm" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 41 "../module_sasa" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 42 "../module_sizeshape" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 43 "../module_sprint" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"
click 44 "../module_wham" "PLUMED's suite of command line tools[Authors:The PLUMED core developers]"