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swap_compartment Struct Reference

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...
 
realdist
 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: