sc::SumAccumH Class Reference

This specialization of AccumHNull does nothing. More...

#include <accum.h>

Inheritance diagram for sc::SumAccumH:

[legend]Collaboration diagram for sc::SumAccumH:

[legend]List of all members.

Public Member Functions
	SumAccumH (StateIn &)
	SumAccumH (const Ref< KeyVal > &)
	The KeyVal constructor.
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
void	init (const Ref< Wavefunction > &)
	Sets the current Wavefunction.
void	accum (const RefSymmSCMatrix &h)
	Sum the contribution from this object into h.
void	done ()
	Should be called after we are finished with this AccumH.
double	e ()
	Returns the scalar contribution to the energy.
Protected Attributes
int	n_
Ref< AccumH > *	accums_

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Detailed Description

This specialization of AccumHNull does nothing.

Sums the results of several AccumH objects.

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Constructor & Destructor Documentation

sc::SumAccumH::SumAccumH

(

const Ref< KeyVal > &

)

The KeyVal constructor.

accums

This gives an array of AccumH objects that are each called to obtain the total contribution.

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Member Function Documentation

void sc::SumAccumH::save_data_state

(

StateOut &

)

[virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::AccumH.

void sc::SumAccumH::init

(

const Ref< Wavefunction > &

)

[virtual]

Sets the current Wavefunction.

This is needed if the contribution depends on the current Wavefunction. This would override a Wavefunction givin in the KeyVal CTOR.

Reimplemented from sc::AccumH.

void sc::SumAccumH::accum

(

const RefSymmSCMatrix &

h

)

[virtual]

Sum the contribution from this object into h.

Implements sc::AccumH.

void sc::SumAccumH::done

(

)

[virtual]

Should be called after we are finished with this AccumH.

The reference to current Wavefunction object will be removed, and accum cannot be called until another init call is made.

Reimplemented from sc::AccumH.

double sc::SumAccumH::e

(

)

[virtual]

Returns the scalar contribution to the energy.

Available only after accum is called.

Reimplemented from sc::AccumH.

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

• accum.h

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