#include <gromacs/domdec/domdec.h>

Description

Structure containing all (command line) options for the domain decomposition.

Public Attributes
gmx_bool	checkBondedInteractions
	If true, check that all bonded interactions have been assigned to exactly one domain/rank.

gmx_bool	useBondedCommunication
	If true, don't communicate all atoms between the non-bonded cut-off and the larger bonded cut-off, but only those that have non-local bonded interactions. This significantly reduces the communication volume.

ivec	numCells
	The domain decomposition grid cell count, 0 means let domdec choose based on the number of ranks.

int	numPmeRanks
	The number of separate PME ranks requested, -1 = auto.

DdRankOrder	rankOrder
	Ordering of the PP and PME ranks, values from enum above.

real	minimumCommunicationRange
	The minimum communication range, used for extended the communication range for bonded interactions (nm).

real	constraintCommunicationRange
	Communication range for atom involved in constraints (P-LINCS) (nm).

DlbOption	dlbOption
	Dynamic load balancing option, values from enum above.

real	dlbScaling
	Fraction in (0,1) by whose reciprocal the initial DD cell size will be increased in order to provide a margin in which dynamic load balancing can act, while preserving the minimum cell size.

const char *	cellSizeX
	String containing a vector of the relative sizes in the x direction of the corresponding DD cells.

const char *	cellSizeY
	String containing a vector of the relative sizes in the y direction of the corresponding DD cells.

const char *	cellSizeZ
	String containing a vector of the relative sizes in the z direction of the corresponding DD cells.

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

Public Member Functions