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Public Member Functions | Data Fields
GroupMap Class Reference

#include <mole_priv.h>

Collaboration diagram for GroupMap:
Collaboration graph

Public Member Functions

void updateMolecules (const valarray< double > &b2)
void setup (double *b0vec)
 GroupMap (size_t size)

Data Fields

multi_arr< double, 2 > fion
valarray< double > molElems

Detailed Description

Definition at line 22 of file mole_priv.h.

Constructor & Destructor Documentation

GroupMap::GroupMap ( size_t  size)

Definition at line 28 of file mole_priv.h.

References multi_arr< T, d, ALLOC, lgBC >::alloc(), fion, molElems, and multi_arr< T, d, ALLOC, lgBC >::reserve().

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Member Function Documentation

void GroupMap::setup ( double *  b0vec)
void GroupMap::updateMolecules ( const valarray< double > &  b2)

Field Documentation

multi_arr<double,2> GroupMap::fion

Definition at line 24 of file mole_priv.h.

Referenced by funjac(), GroupMap(), setup(), and updateMolecules().

valarray<double> GroupMap::molElems

Definition at line 25 of file mole_priv.h.

Referenced by funjac(), GroupMap(), and setup().

The documentation for this class was generated from the following files: