Description

Structure containing compartment-specific data.

Public Attributes
int	nMol
	Number of ion or water molecules detected in this compartment. More...

int	nMolBefore
	Number of molecules before swapping. More...

int	nMolReq
	Requested number of molecules in compartment. More...

real	nMolAv
	Time-averaged number of molecules matching the compartment conditions. More...

int *	nMolPast
	Past molecule counts for time-averaging. More...

int *	ind
	Indices to collective array of atoms. More...

real *	dist
	Distance of atom to bulk layer, which is normally the center layer of the compartment.

int	nalloc
	Allocation size for ind array. More...

int	inflow_net
	Net inflow of ions into this compartment. More...

Member Data Documentation

int* swap_compartment::ind

Indices to collective array of atoms.

int swap_compartment::inflow_net

Net inflow of ions into this compartment.

int swap_compartment::nalloc

Allocation size for ind array.

int swap_compartment::nMol

Number of ion or water molecules detected in this compartment.

real swap_compartment::nMolAv

Time-averaged number of molecules matching the compartment conditions.

int swap_compartment::nMolBefore

Number of molecules before swapping.

int* swap_compartment::nMolPast

Past molecule counts for time-averaging.

int swap_compartment::nMolReq

Requested number of molecules in compartment.

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