MPQC
3.0.0-alpha
scextrap.h
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//
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// scextrap.h
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//
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// Copyright (C) 1996 Limit Point Systems, Inc.
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//
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// Author: Curtis Janssen <cljanss@limitpt.com>
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// Maintainer: LPS
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//
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// This file is part of the SC Toolkit.
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//
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// The SC Toolkit is free software; you can redistribute it and/or modify
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// it under the terms of the GNU Library General Public License as published by
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// the Free Software Foundation; either version 2, or (at your option)
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// any later version.
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//
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// The SC Toolkit is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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// GNU Library General Public License for more details.
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//
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// You should have received a copy of the GNU Library General Public License
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// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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//
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// The U.S. Government is granted a limited license as per AL 91-7.
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//
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#ifndef _math_optimize_scextrap_h
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#define _math_optimize_scextrap_h
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#include <util/class/class.h>
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#include <util/state/state.h>
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#include <util/keyval/keyval.h>
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namespace
sc
{
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class
SCExtrapData
:
public
SavableState
{
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public
:
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SCExtrapData
();
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SCExtrapData
(
StateIn
&);
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virtual
~
SCExtrapData
();
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void
save_data_state
(
StateOut
&);
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virtual
SCExtrapData
*
copy
() = 0;
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virtual
void
zero
() = 0;
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virtual
void
accumulate_scaled
(
double
scale,
const
Ref<SCExtrapData>
&) = 0;
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};
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class
SCExtrapError
:
public
SavableState
{
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public
:
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SCExtrapError
();
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SCExtrapError
(
StateIn
&);
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virtual
~
SCExtrapError
();
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void
save_data_state
(
StateOut
&);
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virtual
double
error
() = 0;
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virtual
double
scalar_product
(
const
Ref<SCExtrapError>
&) = 0;
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};
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class
SelfConsistentExtrapolation
:
public
SavableState
{
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private
:
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double
error_;
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int
errorset_;
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double
tolerance_;
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protected
:
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void
set_error(
double
e) { error_ = e; errorset_ = 1; }
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public
:
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SelfConsistentExtrapolation
();
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SelfConsistentExtrapolation
(
StateIn
&);
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SelfConsistentExtrapolation
(
const
Ref<KeyVal>
&);
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~
SelfConsistentExtrapolation
();
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void
save_data_state
(
StateOut
&);
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void
set_tolerance(
double
t) { tolerance_ = t; }
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double
tolerance() {
return
tolerance_; }
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double
error() {
return
error_; }
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int
converged() {
return
errorset_? error_ <= tolerance_ : 0; }
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// Makes a copy of data and returns the extrapolation in
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// data. A reference to error is saved so a copy must
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// be given to extrapolate if error could be changed.
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virtual
int
extrapolate(
const
Ref<SCExtrapData>
& data,
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const
Ref<SCExtrapError>
& error) = 0;
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// Extrapolation should be started when this is called,
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// if it hasn't already started. The default starting
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// point is implemenation dependent. This member might
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// do nothing in some implementations.
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virtual
void
start_extrapolation();
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virtual
void
reinitialize
(
Ref<SCExtrapData>
data=0) =0;
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};
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}
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#endif
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// Local Variables:
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// mode: c++
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// c-file-style: "CLJ"
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// End:
sc::SCExtrapError::error
virtual double error()=0
Returns some measure of the total error.
sc::SCExtrapData::copy
virtual SCExtrapData * copy()=0
Return a copy of this.
sc::Ref
A template class that maintains references counts.
Definition:
ref.h:361
sc::SCExtrapData::zero
virtual void zero()=0
Set this to zero.
sc::SCExtrapError::scalar_product
virtual double scalar_product(const Ref< SCExtrapError > &)=0
Performs a scalar product between this and the given SCExtrapError.
sc::SelfConsistentExtrapolation::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::StateIn
Definition:
statein.h:79
sc::SCExtrapError::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::SCExtrapData
SCExtrapData hold the data to be extrapolated needed by SelfConsistentExtrapolation.
Definition:
scextrap.h:39
sc::SelfConsistentExtrapolation::reinitialize
virtual void reinitialize(Ref< SCExtrapData > data=0)=0
This must be called if the extrapolation object is to be used again.
sc::SelfConsistentExtrapolation
The SelfConsistentExtrapolation abstract class is used to iteratively solve equations requiring a sel...
Definition:
scextrap.h:83
sc::SCExtrapError::SCExtrapError
SCExtrapError()
Construct a new SCExtrapError.
sc::StateOut
Definition:
stateout.h:71
sc::SCExtrapError
SCExtrapError holds the error data needed by SelfConsistentExtrapolation.
Definition:
scextrap.h:61
sc::SCExtrapData::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::SavableState
Base class for objects that can save/restore state.
Definition:
state.h:45
sc::SCExtrapData::SCExtrapData
SCExtrapData()
Construct a new SCExtrapData.
sc
Contains all MPQC code up to version 3.
Definition:
mpqcin.h:14
sc::SCExtrapData::accumulate_scaled
virtual void accumulate_scaled(double scale, const Ref< SCExtrapData > &)=0
The passed SCExtrapData is accumulated into this after applying the scaling factor.
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