Collaboration diagram for t_swap:

Description

Main (private) data structure for the position swapping protocol.

Public Attributes
int	swapdim
	One of XX, YY, ZZ.

t_pbc *	pbc
	Needed to make molecules whole. More...

FILE *	fpout
	Output file. More...

int	ngrp
	Number of t_swapgrp groups.

std::vector< t_swapgrp >	group
	Separate groups for channels, solvent, ions.

int	fluxleak
	Flux not going through any of the channels. More...

real	deltaQ
	The charge imbalance between the compartments. More...

Member Data Documentation

real t_swap::deltaQ

The charge imbalance between the compartments.

int t_swap::fluxleak

Flux not going through any of the channels.

FILE* t_swap::fpout

Output file.

t_pbc* t_swap::pbc

Needed to make molecules whole.

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