gmx::Cutoffs Struct Reference

Description

Struct for holding information on initial cut-off distances and the box.

Public Attributes
real	cutoffDivSpacing
	the minimum cutoff / PME grid spacing ratio
real	rcut_vdw
	Vdw cutoff (does not change)
real	rcut_coulomb_start
	Initial electrostatics cutoff.
real	rbufOuter_coulomb
	the outer pairlist buffer size
real	rbufOuter_vdw
	the outer pairlist buffer size
real	rbufInner_coulomb
	the inner pairlist buffer size
real	rbufInner_vdw
	the inner pairlist buffer size
matrix	startBox
	the initial simulation box

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The documentation for this struct was generated from the following file:

• src/gromacs/ewald/pme_load_balancing.cpp