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t_swap Struct Reference
+ 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_pbcpbc
 Needed to make molecules whole. More...
 
FILE * fpout
 Output file. More...
 
int ngrp
 Number of t_swapgrp groups.
 
std::vector< t_swapgrpgroup
 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: