GroupMap Class Reference

#include <mole_priv.h>

Collaboration diagram for GroupMap:
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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 21 of file mole_priv.h.


Constructor & Destructor Documentation

GroupMap::GroupMap ( size_t  size  )  [inline]

Definition at line 27 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

Definition at line 23 of file mole_priv.h.

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

valarray<double> GroupMap::molElems

Definition at line 24 of file mole_priv.h.

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


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