MPQC 3.0.0-alpha
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matrix.h
1//
2// matrix.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Curtis Janssen <cljanss@limitpt.com>
7// Maintainer: LPS
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifndef _math_scmat_matrix_h
29#define _math_scmat_matrix_h
30
31#include <iostream>
32#include <cfloat>
33
34#include <math/scmat/abstract.h>
35#include <util/state/statein.h>
36#include <util/state/stateout.h>
37
38namespace sc {
39
40class SCVectordouble;
41class SCMatrixdouble;
42class SymmSCMatrixdouble;
43class DiagSCMatrixdouble;
44
45class SCMatrixBlockIter;
46class SCMatrixRectBlock;
47class SCMatrixLTriBlock;
48class SCMatrixDiagBlock;
49class SCVectorSimpleBlock;
50
51class RefSCMatrix;
52class RefSymmSCMatrix;
55class RefSCVector: public Ref<SCVector> {
56 // standard overrides
57 public:
60 RefSCVector();
62 RefSCVector(const RefSCVector& v);
64 RefSCVector(SCVector *v);
65 // don't allow automatic conversion from any reference to a
66 // described class
67 ~RefSCVector();
69 RefSCVector& operator=(SCVector* v);
71 RefSCVector& operator=(const RefSCVector& v);
72
73 // vector specific members
74 public:
77 RefSCVector(const RefSCDimension& dim,const Ref<SCMatrixKit>&);
78
80 SCVectordouble operator()(int) const;
82 SCVectordouble operator[](int) const;
84 RefSCVector operator+(const RefSCVector&a) const;
86 RefSCVector operator-(const RefSCVector&a) const;
88 RefSCVector operator*(double) const;
90 RefSCMatrix outer_product(const RefSCVector& v) const;
92 RefSymmSCMatrix symmetric_outer_product() const;
93
94 void set_element(int i,double val) const;
95 void accumulate_element(int i,double val) const;
96 double get_element(int) const;
97 int n() const;
98 RefSCDimension dim() const;
99 Ref<SCMatrixKit> kit() const;
100 RefSCVector clone() const;
101 RefSCVector copy() const;
102 double maxabs() const;
103 double scalar_product(const RefSCVector&) const;
104 double dot(const RefSCVector&) const;
105 void normalize() const;
106 void randomize() const;
107 void assign(const RefSCVector& v) const;
108 void assign(double val) const;
109 void assign(const double* v) const;
110 void convert(double*) const;
111 void scale(double val) const;
112 void accumulate(const RefSCVector& v) const;
113 void accumulate_product(const RefSymmSCMatrix&, const RefSCVector&);
114 void accumulate_product(const RefSCMatrix&, const RefSCVector&);
115 void element_op(const Ref<SCElementOp>& op) const;
116 void element_op(const Ref<SCElementOp2>&,
117 const RefSCVector&) const;
118 void element_op(const Ref<SCElementOp3>&,
119 const RefSCVector&,
120 const RefSCVector&) const;
121 void print(std::ostream&out) const;
122 void print(const char*title=0,
123 std::ostream&out=ExEnv::out0(), int precision=10) const;
124 void save(StateOut&);
126 void restore(StateIn&);
127};
128RefSCVector operator*(double,const RefSCVector&);
129
130class RefSymmSCMatrix;
131class RefDiagSCMatrix;
135class RefSCMatrix: public Ref<SCMatrix> {
136 // standard overrides
137 public:
138 typedef double value_type;
139 typedef double element_type;
140
143 RefSCMatrix();
145 RefSCMatrix(const RefSCMatrix& m);
147 RefSCMatrix(SCMatrix* m);
148 ~RefSCMatrix();
150 RefSCMatrix& operator=(SCMatrix* m);
152 RefSCMatrix& operator=(const RefSCMatrix& m);
153
154 // matrix specific members
155 public:
158 RefSCMatrix(const RefSCDimension& d1,const RefSCDimension& d2,
159 const Ref<SCMatrixKit>&);
160
162 RefSCVector operator*(const RefSCVector&) const;
163
165 RefSCMatrix operator*(const RefSCMatrix&) const;
166 RefSCMatrix operator*(const RefSymmSCMatrix&) const;
167 RefSCMatrix operator*(const RefDiagSCMatrix&) const;
168
170 RefSCMatrix operator*(double) const;
171
173 RefSCMatrix operator+(const RefSCMatrix&) const;
175 RefSCMatrix operator-(const RefSCMatrix&) const;
176
178 RefSCMatrix t() const;
180 RefSCMatrix i() const;
183 RefSCMatrix gi(double condition_number_threshold = 1e8) const;
184
187 RefSCMatrix clone() const;
188 RefSCMatrix copy() const;
189
190 RefSCMatrix get_subblock(int br, int er, int bc, int ec);
191 void assign_subblock(const RefSCMatrix&, int br, int er, int bc, int ec,
192 int source_br = 0, int source_bc = 0);
193 void accumulate_subblock(const RefSCMatrix&, int, int, int, int,
194 int source_br = 0, int source_bc = 0);
195 RefSCVector get_row(int) const;
196 RefSCVector get_column(int) const;
197 void assign_row(const RefSCVector&, int) const;
198 void assign_column(const RefSCVector&, int) const;
199 void accumulate_row(const RefSCVector&, int) const;
200 void accumulate_column(const RefSCVector&, int) const;
201
202 void accumulate_outer_product(const RefSCVector&,const RefSCVector&) const;
203 void accumulate_product(const RefSCMatrix&,const RefSCMatrix&) const;
204 void assign(const RefSCMatrix&) const;
205 void scale(double) const;
206 void randomize() const;
207 void assign(double) const;
208 void assign(const double*) const;
209 void assign(const double**) const;
210 void convert(double*) const;
211 void convert(double**) const;
212 void accumulate(const RefSCMatrix&) const;
213 void accumulate(const RefSymmSCMatrix&) const;
214 void accumulate(const RefDiagSCMatrix&) const;
215 void element_op(const Ref<SCElementOp>&) const;
216 void element_op(const Ref<SCElementOp2>&,
217 const RefSCMatrix&) const;
218 void element_op(const Ref<SCElementOp3>&,
219 const RefSCMatrix&,
220 const RefSCMatrix&) const;
221 int nrow() const;
222 int ncol() const;
223 RefSCDimension rowdim() const;
224 RefSCDimension coldim() const;
225 Ref<SCMatrixKit> kit() const;
226 void set_element(int,int,double) const;
227 void accumulate_element(int,int,double) const;
228 double get_element(int,int) const;
229 void print(std::ostream&) const;
230 void print(const char*title=0,
231 std::ostream&out=ExEnv::out0(), int =10) const;
232 double trace() const;
233 void save(StateOut&);
235 void restore(StateIn&);
236
241 void svd(const RefSCMatrix &U,
242 const RefDiagSCMatrix &sigma,
243 const RefSCMatrix &V);
245 double solve_lin(const RefSCVector& v) const;
247 double determ() const;
249 SCMatrixdouble operator()(int i,int j) const;
250
254 int nblock() const;
258 RefSCMatrix block(int i) const;
259};
261RefSCMatrix operator*(double,const RefSCMatrix&);
262
265class RefSymmSCMatrix: public Ref<SymmSCMatrix> {
266 // standard overrides
267 public:
270 RefSymmSCMatrix();
272 RefSymmSCMatrix(const RefSymmSCMatrix& m);
274 RefSymmSCMatrix(SymmSCMatrix *m);
275 ~RefSymmSCMatrix();
277 RefSymmSCMatrix& operator=(SymmSCMatrix* m);
279 RefSymmSCMatrix& operator=(const RefSymmSCMatrix& m);
280 void copyRefSCMatrix(const RefSCMatrix& m);// the same dimension, do elementwise copying
281
282 // matrix specific members
283 public:
286 RefSymmSCMatrix(const RefSCDimension& d,const Ref<SCMatrixKit>&);
288 RefSCMatrix operator*(const RefSCMatrix&) const;
289 RefSCMatrix operator*(const RefSymmSCMatrix&) const;
290 RefSCMatrix operator*(const RefDiagSCMatrix&) const;
292 RefSCVector operator*(const RefSCVector&a) const;
293 RefSymmSCMatrix operator*(double) const;
295 RefSymmSCMatrix operator+(const RefSymmSCMatrix&) const;
296 RefSymmSCMatrix operator-(const RefSymmSCMatrix&) const;
298 RefSymmSCMatrix i() const;
300 RefSymmSCMatrix gi(double condition_number_threshold = 1e8) const;
303 RefSymmSCMatrix clone() const;
304 RefSymmSCMatrix copy() const;
305 void set_element(int,int,double) const;
306 void accumulate_element(int,int,double) const;
307 double get_element(int,int) const;
308
309 RefSCMatrix get_subblock(int br, int er, int bc, int ec);
310 RefSymmSCMatrix get_subblock(int br, int er);
311 void assign_subblock(const RefSCMatrix&, int br, int er, int bc, int ec);
312 void assign_subblock(const RefSymmSCMatrix&, int br, int er);
313 void accumulate_subblock(const RefSCMatrix&, int, int, int, int);
314 void accumulate_subblock(const RefSymmSCMatrix&, int, int);
315 RefSCVector get_row(int);
316 void assign_row(const RefSCVector&, int);
317 void accumulate_row(const RefSCVector&, int);
318
319 void accumulate_symmetric_outer_product(const RefSCVector&) const;
320 double scalar_product(const RefSCVector&) const;
321 void accumulate_symmetric_product(const RefSCMatrix&) const;
322 void accumulate_symmetric_sum(const RefSCMatrix&) const;
324 void accumulate_transform(const RefSCMatrix&a,const RefSymmSCMatrix&b,
325 SCMatrix::Transform = SCMatrix::NormalTransform) const;
326 void accumulate_transform(const RefSCMatrix&a,const RefDiagSCMatrix&b,
327 SCMatrix::Transform = SCMatrix::NormalTransform) const;
328 void accumulate_transform(const RefSymmSCMatrix&a,
329 const RefSymmSCMatrix&b) const;
330
331 void randomize() const;
332 void assign(const RefSymmSCMatrix&) const;
333 void scale(double) const;
334 void scale_diagonal(double) const;
335 void assign(double) const;
336 void assign(const double*) const;
337 void assign(const double**) const;
338 void convert(double*) const;
339 void convert(double**) const;
340 void accumulate(const RefSymmSCMatrix&) const;
341 void element_op(const Ref<SCElementOp>&) const;
342 void element_op(const Ref<SCElementOp2>&,
343 const RefSymmSCMatrix&) const;
344 void element_op(const Ref<SCElementOp3>&,
345 const RefSymmSCMatrix&,
346 const RefSymmSCMatrix&) const;
347 double trace() const;
348 int n() const;
349 RefSCDimension dim() const;
350 Ref<SCMatrixKit> kit() const;
351 void print(std::ostream&) const;
352 void print(const char*title=0,
353 std::ostream&out=ExEnv::out0(), int =10) const;
354 void save(StateOut&);
356 void restore(StateIn&);
357
359 double solve_lin(const RefSCVector&) const;
361 double determ() const;
363 RefDiagSCMatrix eigvals() const;
365 RefSCMatrix eigvecs() const;
369 void diagonalize(const RefDiagSCMatrix& eigvals,
370 const RefSCMatrix& eigvecs) const;
372 SymmSCMatrixdouble operator()(int i,int j) const;
376 int nblock() const;
380 RefSymmSCMatrix block(int i) const;
382 RefSCMatrix convert2RefSCMat();
383};
385RefSymmSCMatrix operator*(double,const RefSymmSCMatrix&);
386
389class RefDiagSCMatrix: public Ref<DiagSCMatrix> {
390 // standard overrides
391 public:
394 RefDiagSCMatrix();
396 RefDiagSCMatrix(const RefDiagSCMatrix& m);
398 RefDiagSCMatrix(DiagSCMatrix *m);
399 ~RefDiagSCMatrix();
401 RefDiagSCMatrix& operator=(DiagSCMatrix* m);
403 RefDiagSCMatrix& operator=(const RefDiagSCMatrix & m);
404
405 // matrix specific members
406 public:
409 RefDiagSCMatrix(const RefSCDimension&,const Ref<SCMatrixKit>&);
411 RefSCMatrix operator*(const RefSCMatrix&) const;
412 RefSCMatrix operator*(const RefSymmSCMatrix&) const;
413 RefDiagSCMatrix operator*(const RefDiagSCMatrix&) const;
414 RefDiagSCMatrix operator*(double) const;
416 RefDiagSCMatrix operator+(const RefDiagSCMatrix&) const;
417 RefDiagSCMatrix operator-(const RefDiagSCMatrix&) const;
419 RefDiagSCMatrix i() const;
421 RefDiagSCMatrix gi(double condition_number_threshold = 1e8) const;
424 RefDiagSCMatrix clone() const;
425 RefDiagSCMatrix copy() const;
426 void set_element(int,double) const;
427 void accumulate_element(int,double) const;
428 double get_element(int) const;
429 void randomize() const;
430 void assign(const RefDiagSCMatrix&) const;
431 void scale(double) const;
432 void assign(double) const;
433 void assign(const double*) const;
434 void convert(double*) const;
435 void accumulate(const RefDiagSCMatrix&) const;
436 void element_op(const Ref<SCElementOp>&) const;
437 void element_op(const Ref<SCElementOp2>&,
438 const RefDiagSCMatrix&) const;
439 void element_op(const Ref<SCElementOp3>&,
440 const RefDiagSCMatrix&,
441 const RefDiagSCMatrix&) const;
442 int n() const;
443 RefSCDimension dim() const;
444 Ref<SCMatrixKit> kit() const;
445 double trace() const;
446 void print(std::ostream&) const;
447 void print(const char*title=0,
448 std::ostream&out=ExEnv::out0(), int =10) const;
449 void save(StateOut&);
451 void restore(StateIn&);
453 double determ() const;
455 DiagSCMatrixdouble operator()(int i) const;
459 int nblock() const;
463 RefDiagSCMatrix block(int i) const;
464};
466RefDiagSCMatrix operator*(double,const RefDiagSCMatrix&);
467
468class SCVectordouble {
469 friend class RefSCVector;
470 private:
471 RefSCVector vector;
472 int i;
473
474 SCVectordouble(SCVector*,int);
475 public:
476 SCVectordouble(const SCVectordouble&);
477 ~SCVectordouble();
478 double operator=(double a);
479 double operator=(const SCVectordouble&);
480 operator double();
481 double val() const;
482};
483
484class SCMatrixdouble {
485 friend class RefSCMatrix;
486 private:
487 RefSCMatrix matrix;
488 int i;
489 int j;
490
491 SCMatrixdouble(SCMatrix*,int,int);
492 public:
493 SCMatrixdouble(const SCMatrixdouble&);
494 ~SCMatrixdouble();
495 double operator=(double a);
496 double operator=(const SCMatrixdouble&);
497 operator double() const;
498 double val() const;
499};
500
501class SymmSCMatrixdouble {
502 friend class RefSymmSCMatrix;
503 private:
504 RefSymmSCMatrix matrix;
505 int i;
506 int j;
507
508 SymmSCMatrixdouble(SymmSCMatrix*,int,int);
509 public:
510 SymmSCMatrixdouble(const SCMatrixdouble&);
511 ~SymmSCMatrixdouble();
512 double operator=(double a);
513 double operator=(const SymmSCMatrixdouble&);
514 operator double();
515 double val() const;
516};
517
518class DiagSCMatrixdouble {
519 friend class RefDiagSCMatrix;
520 private:
521 RefDiagSCMatrix matrix;
522 int i;
523 int j;
524
525 DiagSCMatrixdouble(DiagSCMatrix*,int,int);
526 public:
527 DiagSCMatrixdouble(const SCMatrixdouble&);
528 ~DiagSCMatrixdouble();
529 double operator=(double a);
530 double operator=(const DiagSCMatrixdouble&);
531 operator double();
532 double val() const;
533};
534
537struct RefSymmSCMatrixEqual {
538 bool operator()(const RefSymmSCMatrix& mat1, const RefSymmSCMatrix& mat2) {
539 if (mat1.pointer() == mat2.pointer()) return true;
540 const int n = mat1.n();
541 if (n != mat2.n()) return false;
542 for(int r=0; r<n; ++r)
543 for(int c=0; c<=r; ++c)
544 if ( fabs(mat1(r,c) - mat2(r,c)) > DBL_EPSILON)
545 return false;
546 return true;
547 }
548};
549
551template <> void FromStateIn<sc::RefSCVector>(sc::RefSCVector& t, StateIn& so, int& count);
553template <> void FromStateIn<sc::RefSCMatrix>(sc::RefSCMatrix& t, StateIn& so, int& count);
555template <> void FromStateIn<sc::RefSymmSCMatrix>(sc::RefSymmSCMatrix& t, StateIn& so, int& count);
557template <> void FromStateIn<sc::RefDiagSCMatrix>(sc::RefDiagSCMatrix& t, StateIn& so, int& count);
559template <> void ToStateOut<sc::RefSCVector>(const sc::RefSCVector& t, StateOut& so, int& count);
561template <> void ToStateOut<sc::RefSCMatrix>(const sc::RefSCMatrix& t, StateOut& so, int& count);
563template <> void ToStateOut<sc::RefSymmSCMatrix>(const sc::RefSymmSCMatrix& t, StateOut& so, int& count);
565template <> void ToStateOut<sc::RefDiagSCMatrix>(const sc::RefDiagSCMatrix& t, StateOut& so, int& count);
566
567} // namespace sc
568
569#ifdef INLINE_FUNCTIONS
570#include <math/scmat/matrix_i.h>
571#endif
572
573#endif
574
575// Local Variables:
576// mode: c++
577// c-file-style: "CLJ"
578// End:
sc::DiagSCMatrix
The SymmSCMatrix class is the abstract base class for diagonal double valued matrices.
Definition abstract.h:555
sc::DiagSCMatrixdouble
Definition matrix.h:518
sc::ExEnv::out0
static std::ostream & out0()
Return an ostream that writes from node 0.
sc::RefDiagSCMatrix
The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.
Definition matrix.h:389
sc::RefDiagSCMatrix::RefDiagSCMatrix
RefDiagSCMatrix()
Initializes the matrix pointer to 0.
sc::RefDiagSCMatrix::RefDiagSCMatrix
RefDiagSCMatrix(const RefDiagSCMatrix &m)
Make this and m refer to the same SCMatrix.
sc::RefDiagSCMatrix::gi
RefDiagSCMatrix gi(double condition_number_threshold=1e8) const
Return the generalized inverse of this.
sc::RefDiagSCMatrix::operator+
RefDiagSCMatrix operator+(const RefDiagSCMatrix &) const
Matrix addition and subtraction.
sc::RefDiagSCMatrix::operator*
RefSCMatrix operator*(const RefSCMatrix &) const
Multiply this by a matrix and return a matrix.
sc::RefDiagSCMatrix::clone
RefDiagSCMatrix clone() const
These call the SCMatrix members of the same name after checking for references to 0.
sc::RefDiagSCMatrix::i
RefDiagSCMatrix i() const
Return the inverse of this.
sc::RefDiagSCMatrix::RefDiagSCMatrix
RefDiagSCMatrix(const RefSCDimension &, const Ref< SCMatrixKit > &)
Create a diagonal matrix with dimension d by d.
sc::RefDiagSCMatrix::operator=
RefDiagSCMatrix & operator=(DiagSCMatrix *m)
Make this refer to m.
sc::RefDiagSCMatrix::nblock
int nblock() const
If this matrix is blocked return the number of blocks.
sc::RefDiagSCMatrix::operator=
RefDiagSCMatrix & operator=(const RefDiagSCMatrix &m)
Make this and m refer to the same matrix.
sc::RefDiagSCMatrix::determ
double determ() const
Returns the determinant of the referenced matrix.
sc::RefDiagSCMatrix::block
RefDiagSCMatrix block(int i) const
If this matrix is blocked return block i.
sc::RefDiagSCMatrix::restore
void restore(StateIn &)
Restores the matrix from StateIn object. The matrix must have been initialized already.
sc::RefDiagSCMatrix::RefDiagSCMatrix
RefDiagSCMatrix(DiagSCMatrix *m)
Make this refer to m.
sc::RefDiagSCMatrix::operator()
DiagSCMatrixdouble operator()(int i) const
Assign and examine matrix elements.
sc::RefSCDimension
The RefSCDimension class is a smart pointer to an SCDimension specialization.
Definition dim.h:152
sc::RefSCMatrix
The RefSCMatrix class is a smart pointer to an SCMatrix specialization.
Definition matrix.h:135
sc::RefSCMatrix::RefSCMatrix
RefSCMatrix()
Initializes the matrix pointer to 0.
sc::RefSCMatrix::svd
void svd(const RefSCMatrix &U, const RefDiagSCMatrix &sigma, const RefSCMatrix &V)
Compute the singular value decomposition, this = U sigma V.t().
sc::RefSCMatrix::RefSCMatrix
RefSCMatrix(const RefSCMatrix &m)
Make this and m refer to the same SCMatrix.
sc::RefSCMatrix::determ
double determ() const
Returns the determinant of the referenced matrix.
sc::RefSCMatrix::operator*
RefSCMatrix operator*(const RefSCMatrix &) const
Multiply this by a matrix and return a matrix.
sc::RefSCMatrix::operator-
RefSCMatrix operator-(const RefSCMatrix &) const
Matrix subtraction.
sc::RefSCMatrix::solve_lin
double solve_lin(const RefSCVector &v) const
Solves this x = v.
sc::RefSCMatrix::gi
RefSCMatrix gi(double condition_number_threshold=1e8) const
Return the generalized inverse of this using SVD decomposition.
sc::RefSCMatrix::operator+
RefSCMatrix operator+(const RefSCMatrix &) const
Matrix addition.
sc::RefSCMatrix::i
RefSCMatrix i() const
Return the inverse of this.
sc::RefSCMatrix::restore
void restore(StateIn &)
Restores the matrix from StateIn object. The matrix must have been initialized already.
sc::RefSCMatrix::operator()
SCMatrixdouble operator()(int i, int j) const
Assign and examine matrix elements.
sc::RefSCMatrix::t
RefSCMatrix t() const
Return the transpose of this.
sc::RefSCMatrix::clone
RefSCMatrix clone() const
These call the SCMatrix members of the same name after checking for references to 0.
sc::RefSCMatrix::operator*
RefSCVector operator*(const RefSCVector &) const
Multiply this by a vector and return a vector.
sc::RefSCMatrix::operator*
RefSCMatrix operator*(double) const
Multiply this by a scalar and return the result.
sc::RefSCMatrix::block
RefSCMatrix block(int i) const
If this matrix is blocked return block i.
sc::RefSCMatrix::RefSCMatrix
RefSCMatrix(SCMatrix *m)
Make this refer to m.
sc::RefSCMatrix::operator=
RefSCMatrix & operator=(const RefSCMatrix &m)
Make this and m refer to the same matrix.
sc::RefSCMatrix::nblock
int nblock() const
If this matrix is blocked return the number of blocks.
sc::RefSCMatrix::RefSCMatrix
RefSCMatrix(const RefSCDimension &d1, const RefSCDimension &d2, const Ref< SCMatrixKit > &)
Create a vector with dimension d1 by d2.
sc::RefSCMatrix::operator=
RefSCMatrix & operator=(SCMatrix *m)
Make this refer to m.
sc::RefSCVector
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition matrix.h:55
sc::RefSCVector::RefSCVector
RefSCVector(const RefSCDimension &dim, const Ref< SCMatrixKit > &)
Create a vector with dimension dim.
sc::RefSCVector::operator[]
SCVectordouble operator[](int) const
Return an l-value that can be used to assign or retrieve an element.
sc::RefSCVector::RefSCVector
RefSCVector(const RefSCVector &v)
Make this and v refer to the same SCVector.
sc::RefSCVector::operator-
RefSCVector operator-(const RefSCVector &a) const
Subtract two vectors.
sc::RefSCVector::operator=
RefSCVector & operator=(const RefSCVector &v)
Make this and v refer to the same SCVector.
sc::RefSCVector::operator()
SCVectordouble operator()(int) const
Return an l-value that can be used to assign or retrieve an element.
sc::RefSCVector::symmetric_outer_product
RefSymmSCMatrix symmetric_outer_product() const
The outer product of this with itself is a symmetric matrix.
sc::RefSCVector::outer_product
RefSCMatrix outer_product(const RefSCVector &v) const
Return the outer product between this and v.
sc::RefSCVector::RefSCVector
RefSCVector(SCVector *v)
Make this refer to v.
sc::RefSCVector::restore
void restore(StateIn &)
Restores the matrix from StateIn object. The vector must have been initialized already.
sc::RefSCVector::operator=
RefSCVector & operator=(SCVector *v)
Make this refer to v.
sc::RefSCVector::operator+
RefSCVector operator+(const RefSCVector &a) const
Add two vectors.
sc::RefSCVector::operator*
RefSCVector operator*(double) const
Scale a vector.
sc::RefSCVector::RefSCVector
RefSCVector()
Initializes the vector pointer to 0.
sc::RefSymmSCMatrix
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization.
Definition matrix.h:265
sc::RefSymmSCMatrix::i
RefSymmSCMatrix i() const
Return the inverse of this.
sc::RefSymmSCMatrix::convert2RefSCMat
RefSCMatrix convert2RefSCMat()
convert RefSymmSCMatrix to RefSCMatrix
sc::RefSymmSCMatrix::operator=
RefSymmSCMatrix & operator=(const RefSymmSCMatrix &m)
Make this and m refer to the same matrix.
sc::RefSymmSCMatrix::operator+
RefSymmSCMatrix operator+(const RefSymmSCMatrix &) const
Matrix addition and subtraction.
sc::RefSymmSCMatrix::solve_lin
double solve_lin(const RefSCVector &) const
Solves this x = v.
sc::RefSymmSCMatrix::eigvecs
RefSCMatrix eigvecs() const
Returns the eigenvectors of the reference matrix.
sc::RefSymmSCMatrix::RefSymmSCMatrix
RefSymmSCMatrix(SymmSCMatrix *m)
Make this refer to m.
sc::RefSymmSCMatrix::RefSymmSCMatrix
RefSymmSCMatrix(const RefSCDimension &d, const Ref< SCMatrixKit > &)
Create a vector with dimension d by d.
sc::RefSymmSCMatrix::operator*
RefSCVector operator*(const RefSCVector &a) const
Multiply this by a vector and return a vector.
sc::RefSymmSCMatrix::nblock
int nblock() const
If this matrix is blocked return the number of blocks.
sc::RefSymmSCMatrix::operator()
SymmSCMatrixdouble operator()(int i, int j) const
Assign and examine matrix elements.
sc::RefSymmSCMatrix::gi
RefSymmSCMatrix gi(double condition_number_threshold=1e8) const
Return the generalized inverse of this.
sc::RefSymmSCMatrix::operator=
RefSymmSCMatrix & operator=(SymmSCMatrix *m)
Make this refer to m.
sc::RefSymmSCMatrix::RefSymmSCMatrix
RefSymmSCMatrix()
Initializes the matrix pointer to 0.
sc::RefSymmSCMatrix::RefSymmSCMatrix
RefSymmSCMatrix(const RefSymmSCMatrix &m)
Make this and m refer to the same SCMatrix.
sc::RefSymmSCMatrix::operator*
RefSCMatrix operator*(const RefSCMatrix &) const
Multiply this by a matrix and return a matrix.
sc::RefSymmSCMatrix::eigvals
RefDiagSCMatrix eigvals() const
Returns the eigenvalues of the reference matrix.
sc::RefSymmSCMatrix::accumulate_transform
void accumulate_transform(const RefSCMatrix &a, const RefSymmSCMatrix &b, SCMatrix::Transform=SCMatrix::NormalTransform) const
Add a * b * a.t() to this.
sc::RefSymmSCMatrix::diagonalize
void diagonalize(const RefDiagSCMatrix &eigvals, const RefSCMatrix &eigvecs) const
Sets eigvals to the eigenvalues and eigvecs to the eigenvalues and eigenvectors of the referenced mat...
sc::RefSymmSCMatrix::block
RefSymmSCMatrix block(int i) const
If this matrix is blocked return block i.
sc::RefSymmSCMatrix::restore
void restore(StateIn &)
Restores the matrix from StateIn object. The matrix must have been initialized already.
sc::RefSymmSCMatrix::clone
RefSymmSCMatrix clone() const
These call the SCMatrix members of the same name after checking for references to 0.
sc::RefSymmSCMatrix::determ
double determ() const
Returns the determinant of the referenced matrix.
sc::Ref
A template class that maintains references counts.
Definition ref.h:361
sc::Ref< SCMatrix >::operator*
SCMatrix & operator*() const
Definition ref.h:420
sc::Ref::pointer
T * pointer() const
Returns a pointer the reference counted object.
Definition ref.h:413
sc::SCMatrix
The SCMatrix class is the abstract base class for general double valued n by m matrices.
Definition abstract.h:199
sc::SCMatrix::Transform
Transform
types of matrix transforms. Only real-valued matrices are assumed.
Definition abstract.h:205
sc::SCMatrixdouble
Definition matrix.h:484
sc::SCVector
The SCVector class is the abstract base class for double valued vectors.
Definition abstract.h:97
sc::SCVectordouble
Definition matrix.h:468
sc::StateIn
Restores fundamental and user-defined types from images created with StateOut.
Definition statein.h:79
sc::StateOut
Serializes fundamental and user-defined types.
Definition stateout.h:71
sc::SymmSCMatrix
The SymmSCMatrix class is the abstract base class for symmetric double valued matrices.
Definition abstract.h:389
sc::SymmSCMatrixdouble
Definition matrix.h:501
sc
Contains all MPQC code up to version 3.
Definition mpqcin.h:14
sc::FromStateIn< sc::RefSymmSCMatrix >
void FromStateIn< sc::RefSymmSCMatrix >(sc::RefSymmSCMatrix &t, StateIn &so, int &count)
specialization for RefSymmSCMatrix
sc::FromStateIn< sc::RefDiagSCMatrix >
void FromStateIn< sc::RefDiagSCMatrix >(sc::RefDiagSCMatrix &t, StateIn &so, int &count)
specialization for RefDiagSCMatrix
sc::FromStateIn< sc::RefSCMatrix >
void FromStateIn< sc::RefSCMatrix >(sc::RefSCMatrix &t, StateIn &so, int &count)
specialization for RefSCMatrix
sc::ToStateOut< sc::RefSCVector >
void ToStateOut< sc::RefSCVector >(const sc::RefSCVector &t, StateOut &so, int &count)
specialization for RefSCVector
sc::FromStateIn< sc::RefSCVector >
void FromStateIn< sc::RefSCVector >(sc::RefSCVector &t, StateIn &so, int &count)
specialization for RefSCVector
sc::ToStateOut< sc::RefSymmSCMatrix >
void ToStateOut< sc::RefSymmSCMatrix >(const sc::RefSymmSCMatrix &t, StateOut &so, int &count)
specialization for RefSymmSCMatrix
sc::ToStateOut< sc::RefDiagSCMatrix >
void ToStateOut< sc::RefDiagSCMatrix >(const sc::RefDiagSCMatrix &t, StateOut &so, int &count)
specialization for RefDiagSCMatrix
sc::ToStateOut< sc::RefSCMatrix >
void ToStateOut< sc::RefSCMatrix >(const sc::RefSCMatrix &t, StateOut &so, int &count)
specialization for RefSCMatrix
sc::RefSymmSCMatrixEqual
this functor compares RefSymmSCMatrix objects.
Definition matrix.h:537
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