kg_environment.F File Reference

#include "./base/base_uses.f90"

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Modules
module	kg_environment
	Routines for a Kim-Gordon-like partitioning into molecular subunits.

Functions/Subroutines
subroutine, public	kg_environment::kg_env_create (qs_env, kg_env, qs_kind_set, input)
	Allocates and intitializes kg_env. More...
subroutine, public	kg_environment::kg_build_neighborlist (qs_env, sab_orb, sac_kin, molecular, subset_of_mol, current_subset)
	builds either the full neighborlist or neighborlists of molecular More...
subroutine, public	kg_environment::kg_build_subsets (kg_env, para_env)
	... More...