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root/OpenMD/trunk/src/math/SquareMatrix.hpp

Comparing trunk/src/math/SquareMatrix.hpp (file contents):
Revision 123 by tim, Wed Oct 20 18:07:08 2004 UTC vs.
Revision 1924 by gezelter, Mon Aug 5 21:46:11 2013 UTC

#	Line 1 | Line 1
1		/*
2	<	* Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
3	<	*
4	<	* Contact: oopse@oopse.org
5	<	*
6	<	* This program is free software; you can redistribute it and/or
7	<	* modify it under the terms of the GNU Lesser General Public License
8	<	* as published by the Free Software Foundation; either version 2.1
9	<	* of the License, or (at your option) any later version.
10	<	* All we ask is that proper credit is given for our work, which includes
11	<	* - but is not limited to - adding the above copyright notice to the beginning
12	<	* of your source code files, and to any copyright notice that you may distribute
13	<	* with programs based on this work.
14	<	*
15	<	* This program is distributed in the hope that it will be useful,
16	<	* but WITHOUT ANY WARRANTY; without even the implied warranty of
17	<	* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
18	<	* GNU Lesser General Public License for more details.
19	<	*
20	<	* You should have received a copy of the GNU Lesser General Public License
21	<	* along with this program; if not, write to the Free Software
22	<	* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
2	>	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4	+	* The University of Notre Dame grants you ("Licensee") a
5	+	* non-exclusive, royalty free, license to use, modify and
6	+	* redistribute this software in source and binary code form, provided
7	+	* that the following conditions are met:
8	+	*
9	+	* 1. Redistributions of source code must retain the above copyright
10	+	*    notice, this list of conditions and the following disclaimer.
11	+	*
12	+	* 2. Redistributions in binary form must reproduce the above copyright
13	+	*    notice, this list of conditions and the following disclaimer in the
14	+	*    documentation and/or other materials provided with the
15	+	*    distribution.
16	+	*
17	+	* This software is provided "AS IS," without a warranty of any
18	+	* kind. All express or implied conditions, representations and
19	+	* warranties, including any implied warranty of merchantability,
20	+	* fitness for a particular purpose or non-infringement, are hereby
21	+	* excluded.  The University of Notre Dame and its licensors shall not
22	+	* be liable for any damages suffered by licensee as a result of
23	+	* using, modifying or distributing the software or its
24	+	* derivatives. In no event will the University of Notre Dame or its
25	+	* licensors be liable for any lost revenue, profit or data, or for
26	+	* direct, indirect, special, consequential, incidental or punitive
27	+	* damages, however caused and regardless of the theory of liability,
28	+	* arising out of the use of or inability to use software, even if the
29	+	* University of Notre Dame has been advised of the possibility of
30	+	* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42	<
42	>
43		/**
44		* @file SquareMatrix.hpp
45		* @author Teng Lin
46		* @date 10/11/2004
47		* @version 1.0
48		*/
49	<	#ifndef MATH_SQUAREMATRIX_HPP
49	>	#ifndef MATH_SQUAREMATRIX_HPP
50		#define MATH_SQUAREMATRIX_HPP
51
52		#include "math/RectMatrix.hpp"
53	+	#include "utils/NumericConstant.hpp"
54
55	<	namespace oopse {
55	>	namespace OpenMD {
56
57	<	/**
58	<	* @class SquareMatrix SquareMatrix.hpp "math/SquareMatrix.hpp"
59	<	* @brief A square matrix class
60	<	* @template Real the element type
61	<	* @template Dim the dimension of the square matrix
62	<	*/
63	<	template<typename Real, int Dim>
64	<	class SquareMatrix : public RectMatrix<Real, Dim, Dim> {
65	<	public:
57	>	/**
58	>	* @class SquareMatrix SquareMatrix.hpp "math/SquareMatrix.hpp"
59	>	* @brief A square matrix class
60	>	* \tparam Real the element type
61	>	* \tparam Dim the dimension of the square matrix
62	>	*/
63	>	template<typename Real, int Dim>
64	>	class SquareMatrix : public RectMatrix<Real, Dim, Dim> {
65	>	public:
66	>	typedef Real ElemType;
67	>	typedef Real* ElemPoinerType;
68
69	<	/** default constructor */
70	<	SquareMatrix() {
71	<	for (unsigned int i = 0; i < Dim; i++)
72	<	for (unsigned int j = 0; j < Dim; j++)
73	<	data_[i][j] = 0.0;
74	<	}
69	>	/** default constructor */
70	>	SquareMatrix() {
71	>	for (unsigned int i = 0; i < Dim; i++)
72	>	for (unsigned int j = 0; j < Dim; j++)
73	>	this->data_[i][j] = 0.0;
74	>	}
75
76	<	/** copy constructor */
77	<	SquareMatrix(const RectMatrix<Real, Dim, Dim>& m)  : RectMatrix<Real, Dim, Dim>(m) {
78	<	}
59	<
60	<	/** copy assignment operator */
61	<	SquareMatrix<Real, Dim>& operator =(const RectMatrix<Real, Dim, Dim>& m) {
62	<	RectMatrix<Real, Dim, Dim>::operator=(m);
63	<	return *this;
64	<	}
65	<
66	<	/** Retunrs  an identity matrix*/
76	>	/** Constructs and initializes every element of this matrix to a scalar */
77	>	SquareMatrix(Real s) : RectMatrix<Real, Dim, Dim>(s){
78	>	}
79
80	<	static SquareMatrix<Real, Dim> identity() {
81	<	SquareMatrix<Real, Dim> m;
80	>	/** Constructs and initializes from an array */
81	>	SquareMatrix(Real* array) : RectMatrix<Real, Dim, Dim>(array){
82	>	}
83	>
84	>
85	>	/** copy constructor */
86	>	SquareMatrix(const RectMatrix<Real, Dim, Dim>& m) : RectMatrix<Real, Dim, Dim>(m) {
87	>	}
88
89	<	for (unsigned int i = 0; i < Dim; i++)
90	<	for (unsigned int j = 0; j < Dim; j++)
91	<	if (i == j)
92	<	m(i, j) = 1.0;
93	<	else
94	<	m(i, j) = 0.0;
89	>	/** copy assignment operator */
90	>	SquareMatrix<Real, Dim>& operator =(const RectMatrix<Real, Dim, Dim>& m) {
91	>	RectMatrix<Real, Dim, Dim>::operator=(m);
92	>	return *this;
93	>	}
94	>
95	>	/** Retunrs  an identity matrix*/
96
97	<	return m;
98	<	}
97	>	static SquareMatrix<Real, Dim> identity() {
98	>	SquareMatrix<Real, Dim> m;
99	>
100	>	for (unsigned int i = 0; i < Dim; i++)
101	>	for (unsigned int j = 0; j < Dim; j++)
102	>	if (i == j)
103	>	m(i, j) = 1.0;
104	>	else
105	>	m(i, j) = 0.0;
106
107	<	/**
108	<	* Retunrs  the inversion of this matrix.
83	<	* @todo need implementation
84	<	*/
85	<	SquareMatrix<Real, Dim>  inverse() {
86	<	SquareMatrix<Real, Dim> result;
107	>	return m;
108	>	}
109
110	<	return result;
111	<	}
110	>	/**
111	>	* Retunrs  the inversion of this matrix.
112	>	* @todo need implementation
113	>	*/
114	>	SquareMatrix<Real, Dim>  inverse() {
115	>	SquareMatrix<Real, Dim> result;
116
117	<	/**
118	<	* Returns the determinant of this matrix.
93	<	* @todo need implementation
94	<	*/
95	<	Real determinant() const {
96	<	Real det;
97	<	return det;
98	<	}
117	>	return result;
118	>	}
119
120	<	/** Returns the trace of this matrix. */
121	<	Real trace() const {
122	<	Real tmp = 0;
123	<
124	<	for (unsigned int i = 0; i < Dim ; i++)
125	<	tmp += data_[i][i];
120	>	/**
121	>	* Returns the determinant of this matrix.
122	>	* @todo need implementation
123	>	*/
124	>	Real determinant() const {
125	>	Real det;
126	>	return det;
127	>	}
128	>
129	>	/** Returns the trace of this matrix. */
130	>	Real trace() const {
131	>	Real tmp = 0;
132	>
133	>	for (unsigned int i = 0; i < Dim ; i++)
134	>	tmp += this->data_[i][i];
135
136	<	return tmp;
137	<	}
136	>	return tmp;
137	>	}
138
139	<	/** Tests if this matrix is symmetrix. */
140	<	bool isSymmetric() const {
141	<	for (unsigned int i = 0; i < Dim - 1; i++)
142	<	for (unsigned int j = i; j < Dim; j++)
143	<	if (fabs(data_[i][j] - data_[j][i]) > oopse::epsilon)
144	<	return false;
145	<
146	<	return true;
147	<	}
139	>	/** Tests if this matrix is symmetrix. */
140	>	bool isSymmetric() const {
141	>	for (unsigned int i = 0; i < Dim - 1; i++)
142	>	for (unsigned int j = i; j < Dim; j++)
143	>	if (fabs(this->data_[i][j] - this->data_[j][i]) > epsilon)
144	>	return false;
145	>
146	>	return true;
147	>	}
148
149	<	/** Tests if this matrix is orthogonal. */
150	<	bool isOrthogonal() {
151	<	SquareMatrix<Real, Dim> tmp;
149	>	/** Tests if this matrix is orthogonal. */
150	>	bool isOrthogonal() {
151	>	SquareMatrix<Real, Dim> tmp;
152
153	<	tmp = *this * transpose();
153	>	tmp = *this * transpose();
154
155	<	return tmp.isDiagonal();
156	<	}
155	>	return tmp.isDiagonal();
156	>	}
157
158	<	/** Tests if this matrix is diagonal. */
159	<	bool isDiagonal() const {
160	<	for (unsigned int i = 0; i < Dim ; i++)
161	<	for (unsigned int j = 0; j < Dim; j++)
162	<	if (i !=j && fabs(data_[i][j]) > oopse::epsilon)
163	<	return false;
158	>	/** Tests if this matrix is diagonal. */
159	>	bool isDiagonal() const {
160	>	for (unsigned int i = 0; i < Dim ; i++)
161	>	for (unsigned int j = 0; j < Dim; j++)
162	>	if (i !=j && fabs(this->data_[i][j]) > epsilon)
163	>	return false;
164	>
165	>	return true;
166	>	}
167	>
168	>	/**
169	>	* Returns a column vector that contains the elements from the
170	>	* diagonal of m in the order R(0) = m(0,0), R(1) = m(1,1), and so
171	>	* on.
172	>	*/
173	>	Vector<Real, Dim> diagonals() const {
174	>	Vector<Real, Dim> result;
175	>	for (unsigned int i = 0; i < Dim; i++) {
176	>	result(i) = this->data_[i][i];
177	>	}
178	>	return result;
179	>	}
180	>
181	>	/** Tests if this matrix is the unit matrix. */
182	>	bool isUnitMatrix() const {
183	>	if (!isDiagonal())
184	>	return false;
185	>
186	>	for (unsigned int i = 0; i < Dim ; i++)
187	>	if (fabs(this->data_[i][i] - 1) > epsilon)
188	>	return false;
189
190	<	return true;
191	<	}
190	>	return true;
191	>	}
192
193	<	/** Tests if this matrix is the unit matrix. */
194	<	bool isUnitMatrix() const {
195	<	if (!isDiagonal())
142	<	return false;
143	<
144	<	for (unsigned int i = 0; i < Dim ; i++)
145	<	if (fabs(data_[i][i] - 1) > oopse::epsilon)
146	<	return false;
193	>	/** Return the transpose of this matrix */
194	>	SquareMatrix<Real,  Dim> transpose() const{
195	>	SquareMatrix<Real,  Dim> result;
196
197	<	return true;
198	<	}
197	>	for (unsigned int i = 0; i < Dim; i++)
198	>	for (unsigned int j = 0; j < Dim; j++)
199	>	result(j, i) = this->data_[i][j];
200
201	<	/** @todo need implementation */
202	<	void diagonalize() {
203	<	//jacobi(m, eigenValues, ortMat);
204	<	}
201	>	return result;
202	>	}
203	>
204	>	/** @todo need implementation */
205	>	void diagonalize() {
206	>	//jacobi(m, eigenValues, ortMat);
207	>	}
208
209	<	/**
210	<	* Jacobi iteration routines for computing eigenvalues/eigenvectors of
211	<	* real symmetric matrix
212	<	*
213	<	* @return true if success, otherwise return false
214	<	* @param a symmetric matrix whose eigenvectors are to be computed. On return, the matrix is
215	<	*     overwritten
216	<	* @param w will contain the eigenvalues of the matrix On return of this function
217	<	* @param v the columns of this matrix will contain the eigenvectors. The eigenvectors are
218	<	*    normalized and mutually orthogonal.
219	<	*/
220	<
221	<	static int jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& d,
222	<	SquareMatrix<Real, Dim>& v);
223	<	};//end SquareMatrix
209	>	/**
210	>	* Jacobi iteration routines for computing eigenvalues/eigenvectors of
211	>	* real symmetric matrix
212	>	*
213	>	* @return true if success, otherwise return false
214	>	* @param a symmetric matrix whose eigenvectors are to be computed. On return, the matrix is
215	>	*     overwritten
216	>	* @param d will contain the eigenvalues of the matrix On return of this function
217	>	* @param v the columns of this matrix will contain the eigenvectors. The eigenvectors are
218	>	*    normalized and mutually orthogonal.
219	>	*/
220	>
221	>	static int jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& d,
222	>	SquareMatrix<Real, Dim>& v);
223	>	};//end SquareMatrix
224
225
226	<	/*=========================================================================
226	>	/*=========================================================================
227
228		Program:   Visualization Toolkit
229		Module:    $RCSfile: SquareMatrix.hpp,v $
#	Line 179 | Line 232 | namespace oopse {
232		All rights reserved.
233		See Copyright.txt or http://www.kitware.com/Copyright.htm for details.
234
235	<	This software is distributed WITHOUT ANY WARRANTY; without even
236	<	the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
237	<	PURPOSE.  See the above copyright notice for more information.
235	>	This software is distributed WITHOUT ANY WARRANTY; without even
236	>	the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR
237	>	PURPOSE.  See the above copyright notice for more information.
238
239	<	=========================================================================*/
239	>	=========================================================================*/
240
241	<	#define VTK_ROTATE(a,i,j,k,l) g=a(i, j);h=a(k, l);a(i, j)=g-s*(h+g*tau);\
242	<	a(k, l)=h+s*(g-h*tau)
241	>	#define VTK_ROTATE(a,i,j,k,l) g=a(i, j);h=a(k, l);a(i, j)=g-s*(h+g*tau); \
242	>	a(k, l)=h+s*(g-h*tau)
243
244		#define VTK_MAX_ROTATIONS 20
245
246	<	// Jacobi iteration for the solution of eigenvectors/eigenvalues of a nxn
247	<	// real symmetric matrix. Square nxn matrix a; size of matrix in n;
248	<	// output eigenvalues in w; and output eigenvectors in v. Resulting
249	<	// eigenvalues/vectors are sorted in decreasing order; eigenvectors are
250	<	// normalized.
251	<	template<typename Real, int Dim>
252	<	int SquareMatrix<Real, Dim>::jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
253	<	SquareMatrix<Real, Dim>& v) {
254	<	const int n = Dim;
255	<	int i, j, k, iq, ip, numPos;
256	<	Real tresh, theta, tau, t, sm, s, h, g, c, tmp;
257	<	Real bspace[4], zspace[4];
258	<	Real *b = bspace;
259	<	Real *z = zspace;
246	>	// Jacobi iteration for the solution of eigenvectors/eigenvalues of a nxn
247	>	// real symmetric matrix. Square nxn matrix a; size of matrix in n;
248	>	// output eigenvalues in w; and output eigenvectors in v. Resulting
249	>	// eigenvalues/vectors are sorted in decreasing order; eigenvectors are
250	>	// normalized.
251	>	template<typename Real, int Dim>
252	>	int SquareMatrix<Real, Dim>::jacobi(SquareMatrix<Real, Dim>& a, Vector<Real, Dim>& w,
253	>	SquareMatrix<Real, Dim>& v) {
254	>	const int n = Dim;
255	>	int i, j, k, iq, ip, numPos;
256	>	Real tresh, theta, tau, t, sm, s, h, g, c, tmp;
257	>	Real bspace[4], zspace[4];
258	>	Real *b = bspace;
259	>	Real *z = zspace;
260
261	<	// only allocate memory if the matrix is large
262	<	if (n > 4)
263	<	{
264	<	b = new Real[n];
265	<	z = new Real[n];
213	<	}
261	>	// only allocate memory if the matrix is large
262	>	if (n > 4) {
263	>	b = new Real[n];
264	>	z = new Real[n];
265	>	}
266
267	<	// initialize
268	<	for (ip=0; ip<n; ip++)
269	<	{
270	<	for (iq=0; iq<n; iq++)
271	<	{
272	<	v(ip, iq) = 0.0;
273	<	}
274	<	v(ip, ip) = 1.0;
275	<	}
276	<	for (ip=0; ip<n; ip++)
277	<	{
226	<	b[ip] = w[ip] = a(ip, ip);
227	<	z[ip] = 0.0;
228	<	}
267	>	// initialize
268	>	for (ip=0; ip<n; ip++) {
269	>	for (iq=0; iq<n; iq++) {
270	>	v(ip, iq) = 0.0;
271	>	}
272	>	v(ip, ip) = 1.0;
273	>	}
274	>	for (ip=0; ip<n; ip++) {
275	>	b[ip] = w[ip] = a(ip, ip);
276	>	z[ip] = 0.0;
277	>	}
278
279	<	// begin rotation sequence
280	<	for (i=0; i<VTK_MAX_ROTATIONS; i++)
281	<	{
282	<	sm = 0.0;
283	<	for (ip=0; ip<n-1; ip++)
284	<	{
285	<	for (iq=ip+1; iq<n; iq++)
286	<	{
287	<	sm += fabs(a(ip, iq));
288	<	}
289	<	}
241	<	if (sm == 0.0)
242	<	{
243	<	break;
244	<	}
279	>	// begin rotation sequence
280	>	for (i=0; i<VTK_MAX_ROTATIONS; i++) {
281	>	sm = 0.0;
282	>	for (ip=0; ip<n-1; ip++) {
283	>	for (iq=ip+1; iq<n; iq++) {
284	>	sm += fabs(a(ip, iq));
285	>	}
286	>	}
287	>	if (sm == 0.0) {
288	>	break;
289	>	}
290
291	<	if (i < 3)                                // first 3 sweeps
292	<	{
293	<	tresh = 0.2*sm/(n*n);
294	<	}
295	<	else
251	<	{
252	<	tresh = 0.0;
253	<	}
291	>	if (i < 3) {                                // first 3 sweeps
292	>	tresh = 0.2*sm/(n*n);
293	>	} else {
294	>	tresh = 0.0;
295	>	}
296
297	<	for (ip=0; ip<n-1; ip++)
298	<	{
299	<	for (iq=ip+1; iq<n; iq++)
258	<	{
259	<	g = 100.0*fabs(a(ip, iq));
297	>	for (ip=0; ip<n-1; ip++) {
298	>	for (iq=ip+1; iq<n; iq++) {
299	>	g = 100.0*fabs(a(ip, iq));
300
301	<	// after 4 sweeps
302	<	if (i > 3 && (fabs(w[ip])+g) == fabs(w[ip])
303	<	&& (fabs(w[iq])+g) == fabs(w[iq]))
304	<	{
305	<	a(ip, iq) = 0.0;
306	<	}
307	<	else if (fabs(a(ip, iq)) > tresh)
308	<	{
309	<	h = w[iq] - w[ip];
310	<	if ( (fabs(h)+g) == fabs(h))
311	<	{
312	<	t = (a(ip, iq)) / h;
313	<	}
314	<	else
315	<	{
316	<	theta = 0.5*h / (a(ip, iq));
317	<	t = 1.0 / (fabs(theta)+sqrt(1.0+theta*theta));
318	<	if (theta < 0.0)
319	<	{
320	<	t = -t;
321	<	}
322	<	}
323	<	c = 1.0 / sqrt(1+t*t);
324	<	s = t*c;
285	<	tau = s/(1.0+c);
286	<	h = t*a(ip, iq);
287	<	z[ip] -= h;
288	<	z[iq] += h;
289	<	w[ip] -= h;
290	<	w[iq] += h;
291	<	a(ip, iq)=0.0;
301	>	// after 4 sweeps
302	>	if (i > 3 && (fabs(w[ip])+g) == fabs(w[ip])
303	>	&& (fabs(w[iq])+g) == fabs(w[iq])) {
304	>	a(ip, iq) = 0.0;
305	>	} else if (fabs(a(ip, iq)) > tresh) {
306	>	h = w[iq] - w[ip];
307	>	if ( (fabs(h)+g) == fabs(h)) {
308	>	t = (a(ip, iq)) / h;
309	>	} else {
310	>	theta = 0.5*h / (a(ip, iq));
311	>	t = 1.0 / (fabs(theta)+sqrt(1.0+theta*theta));
312	>	if (theta < 0.0) {
313	>	t = -t;
314	>	}
315	>	}
316	>	c = 1.0 / sqrt(1+t*t);
317	>	s = t*c;
318	>	tau = s/(1.0+c);
319	>	h = t*a(ip, iq);
320	>	z[ip] -= h;
321	>	z[iq] += h;
322	>	w[ip] -= h;
323	>	w[iq] += h;
324	>	a(ip, iq)=0.0;
325
326	<	// ip already shifted left by 1 unit
327	<	for (j = 0;j <= ip-1;j++)
328	<	{
329	<	VTK_ROTATE(a,j,ip,j,iq);
330	<	}
331	<	// ip and iq already shifted left by 1 unit
332	<	for (j = ip+1;j <= iq-1;j++)
333	<	{
334	<	VTK_ROTATE(a,ip,j,j,iq);
335	<	}
336	<	// iq already shifted left by 1 unit
337	<	for (j=iq+1; j<n; j++)
338	<	{
339	<	VTK_ROTATE(a,ip,j,iq,j);
340	<	}
341	<	for (j=0; j<n; j++)
342	<	{
343	<	VTK_ROTATE(v,j,ip,j,iq);
311	<	}
312	<	}
313	<	}
314	<	}
326	>	// ip already shifted left by 1 unit
327	>	for (j = 0;j <= ip-1;j++) {
328	>	VTK_ROTATE(a,j,ip,j,iq);
329	>	}
330	>	// ip and iq already shifted left by 1 unit
331	>	for (j = ip+1;j <= iq-1;j++) {
332	>	VTK_ROTATE(a,ip,j,j,iq);
333	>	}
334	>	// iq already shifted left by 1 unit
335	>	for (j=iq+1; j<n; j++) {
336	>	VTK_ROTATE(a,ip,j,iq,j);
337	>	}
338	>	for (j=0; j<n; j++) {
339	>	VTK_ROTATE(v,j,ip,j,iq);
340	>	}
341	>	}
342	>	}
343	>	}
344
345	<	for (ip=0; ip<n; ip++)
346	<	{
347	<	b[ip] += z[ip];
348	<	w[ip] = b[ip];
349	<	z[ip] = 0.0;
350	<	}
322	<	}
345	>	for (ip=0; ip<n; ip++) {
346	>	b[ip] += z[ip];
347	>	w[ip] = b[ip];
348	>	z[ip] = 0.0;
349	>	}
350	>	}
351
352	<	//// this is NEVER called
353	<	if ( i >= VTK_MAX_ROTATIONS )
354	<	{
355	<	std::cout << "vtkMath::Jacobi: Error extracting eigenfunctions" << std::endl;
356	<	return 0;
357	<	}
352	>	//// this is NEVER called
353	>	if ( i >= VTK_MAX_ROTATIONS ) {
354	>	std::cout << "vtkMath::Jacobi: Error extracting eigenfunctions" << std::endl;
355	>	if (n > 4) {
356	>	delete[] b;
357	>	delete[] z;
358	>	}
359	>	return 0;
360	>	}
361
362	<	// sort eigenfunctions                 these changes do not affect accuracy
363	<	for (j=0; j<n-1; j++)                  // boundary incorrect
364	<	{
365	<	k = j;
366	<	tmp = w[k];
367	<	for (i=j+1; i<n; i++)                // boundary incorrect, shifted already
368	<	{
369	<	if (w[i] >= tmp)                   // why exchage if same?
370	<	{
371	<	k = i;
372	<	tmp = w[k];
373	<	}
374	<	}
375	<	if (k != j)
376	<	{
377	<	w[k] = w[j];
378	<	w[j] = tmp;
379	<	for (i=0; i<n; i++)
380	<	{
381	<	tmp = v(i, j);
382	<	v(i, j) = v(i, k);
383	<	v(i, k) = tmp;
384	<	}
385	<	}
386	<	}
387	<	// insure eigenvector consistency (i.e., Jacobi can compute vectors that
388	<	// are negative of one another (.707,.707,0) and (-.707,-.707,0). This can
389	<	// reek havoc in hyperstreamline/other stuff. We will select the most
390	<	// positive eigenvector.
391	<	int ceil_half_n = (n >> 1) + (n & 1);
392	<	for (j=0; j<n; j++)
393	<	{
394	<	for (numPos=0, i=0; i<n; i++)
395	<	{
396	<	if ( v(i, j) >= 0.0 )
397	<	{
398	<	numPos++;
399	<	}
369	<	}
370	<	//    if ( numPos < ceil(double(n)/double(2.0)) )
371	<	if ( numPos < ceil_half_n)
372	<	{
373	<	for(i=0; i<n; i++)
374	<	{
375	<	v(i, j) *= -1.0;
376	<	}
377	<	}
378	<	}
362	>	// sort eigenfunctions                 these changes do not affect accuracy
363	>	for (j=0; j<n-1; j++) {                  // boundary incorrect
364	>	k = j;
365	>	tmp = w[k];
366	>	for (i=j+1; i<n; i++) {                // boundary incorrect, shifted already
367	>	if (w[i] >= tmp) {                   // why exchage if same?
368	>	k = i;
369	>	tmp = w[k];
370	>	}
371	>	}
372	>	if (k != j) {
373	>	w[k] = w[j];
374	>	w[j] = tmp;
375	>	for (i=0; i<n; i++) {
376	>	tmp = v(i, j);
377	>	v(i, j) = v(i, k);
378	>	v(i, k) = tmp;
379	>	}
380	>	}
381	>	}
382	>	// insure eigenvector consistency (i.e., Jacobi can compute vectors that
383	>	// are negative of one another (.707,.707,0) and (-.707,-.707,0). This can
384	>	// reek havoc in hyperstreamline/other stuff. We will select the most
385	>	// positive eigenvector.
386	>	int ceil_half_n = (n >> 1) + (n & 1);
387	>	for (j=0; j<n; j++) {
388	>	for (numPos=0, i=0; i<n; i++) {
389	>	if ( v(i, j) >= 0.0 ) {
390	>	numPos++;
391	>	}
392	>	}
393	>	//    if ( numPos < ceil(RealType(n)/RealType(2.0)) )
394	>	if ( numPos < ceil_half_n) {
395	>	for (i=0; i<n; i++) {
396	>	v(i, j) *= -1.0;
397	>	}
398	>	}
399	>	}
400
401	<	if (n > 4)
402	<	{
403	<	delete [] b;
383	<	delete [] z;
384	<	}
385	<	return 1;
401	>	if (n > 4) {
402	>	delete [] b;
403	>	delete [] z;
404		}
405	+	return 1;
406	+	}
407
408
409	+	typedef SquareMatrix<RealType, 6> Mat6x6d;
410		}
411		#endif //MATH_SQUAREMATRIX_HPP
412

Comparing trunk/src/math/SquareMatrix.hpp (property svn:keywords):
Revision 123 by tim, Wed Oct 20 18:07:08 2004 UTC vs.
Revision 1924 by gezelter, Mon Aug 5 21:46:11 2013 UTC

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