kg_vertex_coloring_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	kg_vertex_coloring_methods
	Routines for a Kim-Gordon-like partitioning into molecular subunits unsing a vertex coloring algorithm (DSATUR) to find non-interating subsets, such that two molecules within the same subset have small/zero overlap (in other words: this molecular pair is not present in the neighborlist sab_orb for the current value of EPS_DEFAULT)

Functions/Subroutines
subroutine, public	kg_vertex_coloring_methods::kg_vertex_coloring (kg_env, pairs, ncolors, color_of_node)
	...