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swap_compartment Struct Reference

Description

Structure containing compartment-specific data.

Public Attributes

int nMol = 0
 Number of ion or water molecules detected in this compartment.
 
int nMolBefore = 0
 Number of molecules before swapping.
 
int nMolReq = 0
 Requested number of molecules in compartment.
 
real nMolAv = 0._real
 Time-averaged number of molecules matching the compartment conditions.
 
std::vector< int > nMolPast
 Past molecule counts for time-averaging.
 
std::vector< int > ind
 Indices to collective array of atoms.
 
std::vector< realdist
 Distance of atom to bulk layer, which is normally the center layer of the compartment.
 
int inflow_net = 0
 Net inflow of ions into this compartment.
 

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