Namespaces | |
namespace | arn |
Classes | |
class | Allocator |
class | AllocatorManager |
class | DebugLevelHigh |
class | DebugLevelMedium |
class | DebugLevelLow |
class | Failure |
class | Acceptable |
class | AcceptableMaxIter |
class | FileWritable |
Write and read objects to/from file. More... | |
class | Interval |
struct | Gblas |
struct | DiffMatrix |
struct | ATAMatrix |
struct | TripleMatrix |
struct | CongrTransErrorMatrix |
class | Params |
class | Time |
class | MemUsage |
class | SingletonForTimings |
class | Matrix |
Matrix class and heart of the matrix library. More... | |
class | Matrix< Treal > |
struct | XY |
This proxy expresses the result of multiplication of two objects, of possibly different types, TX and TY. More... | |
struct | XYZ |
This proxy expresses the result of multiplication of three objects, of possibly different types, TX, TY, and TZ. More... | |
struct | XYZpUV |
This proxy expresses the result of multiplication of three objects added to two other multiplied objects. More... | |
struct | Xtrans |
This proxy expresses the result of transposition of an object of type TX. More... | |
struct | XpY |
This proxy expresses the result of addition of two objects, of possibly different types, TX and TY. More... | |
struct | XmY |
This proxy expresses the result of substraction of two objects, of possibly different types, TX and TY. More... | |
class | MatrixBase |
Base class for matrix API. More... | |
class | MatrixGeneral |
Normal matrix. More... | |
class | MatrixHierarchicBase |
Base class for Matrix and Matrix specialization. More... | |
class | MatrixSymmetric |
Symmetric matrix. More... | |
class | MatrixTriangular |
Upper non-unit triangular matrix. More... | |
class | SizesAndBlocks |
Describes dimensions of matrix and its blocks on all levels. More... | |
class | TC2 |
Trace correcting purification. More... | |
class | EuclTruncationBase |
class | EuclTruncationSymm |
Truncation of symmetric matrices. More... | |
class | EuclTruncationSymmWithZ |
Truncation of symmetric matrices with Z. More... | |
class | EuclTruncationSymmElementLevel |
Truncation of symmetric matrices at the element level (used for mixed norm truncation). More... | |
class | EuclTruncationGeneral |
Truncation of general matrices. More... | |
class | EuclTruncationCongrTransMeasure |
Truncation of general matrices with impact on matrix triple multiply as error measure. More... | |
class | ValidPtr |
Smart pointer class to control access to object. More... | |
class | Vector |
Vector class. More... | |
class | Vector< Treal > |
class | VectorGeneral |
class | VectorHierarchicBase |
Base class for Vector and Vector specialization. More... | |
Enumerations | |
enum | property { zero, ful } |
enum | normType { frobNorm, euclNorm, mixedNorm } |
enum | side { left, right } |
enum | inchversion { unstable, stable } |
enum | matrix_type { matrix_matr, matrix_symm, matrix_triang } |
Functions | |
template<> | |
float * | allocateElements< float > (int n) |
template<> | |
void | freeElements (float *ptr) |
template<> | |
double * | allocateElements< double > (int n) |
template<> | |
void | freeElements (double *ptr) |
template<class T > | |
T * | allocateElements (int n) |
template<class T > | |
void | freeElements (T *ptr) |
template<typename Treal > | |
int | sign (Treal value) |
Sign function returns the sign of the input. | |
template<typename Treal , typename Tfun > | |
Treal | bisection (Tfun const &fun, Treal min, Treal max, Treal const tol) |
Bisection algorithm for root finding. | |
static long int | get_file_size (const char *fileName) |
static void | copy_file (const char *sourceFileName, const char *destFileName) |
template<class Treal > | |
static Treal | maxdiff (const Treal *f1, const Treal *f2, int size) |
template<class Treal > | |
static Treal | maxdiff_tri (const Treal *f1, const Treal *f2, int size) |
template<class Treal > | |
static Treal | frobdiff (const Treal *f1, const Treal *f2, int size) |
template<typename Treal , typename Trealonfile > | |
static void | fileread (Treal *ptr, int size, FILE *file) |
template<typename Treal , typename Tmatrix > | |
static void | read_matrix (Tmatrix &A, char const *const matrixPath, int const size) |
template<typename Treal , typename Trealonfile , typename Tmatrix > | |
static void | read_sparse_matrix (Tmatrix &A, char const *const rowPath, char const *const colPath, char const *const valPath, int const nval) |
template<typename Treal > | |
static void | read_xyz (Treal *x, Treal *y, Treal *z, char *atomsPath, int const natoms, int const size) |
template<typename Treal > | |
Interval< Treal > | sqrtInt (Interval< Treal > const &other) |
template<typename Treal > | |
std::ostream & | operator<< (std::ostream &s, Interval< Treal > const &in) |
template<typename Tmatrix , typename Treal > | |
Interval< Treal > | euclIfSmall (Tmatrix const &M, Treal const requestedAbsAccuracy, Treal const requestedRelAccuracy, Treal const maxAbsVal, typename Tmatrix::VectorType *const eVecPtr=0, int maxIter=-1) |
Returns interval containing the Euclidean norm of the matrix M. | |
template<class T > | |
static void | gemm (const char *ta, const char *tb, const int *n, const int *k, const int *l, const T *alpha, const T *A, const int *lda, const T *B, const int *ldb, const T *beta, T *C, const int *ldc) |
template<class T > | |
static void | pptrf (const char *uplo, const int *n, T *ap, int *info) |
template<class T > | |
static void | spgst (const int *itype, const char *uplo, const int *n, T *ap, const T *bp, int *info) |
template<class T > | |
static void | tptri (const char *uplo, const char *diag, const int *n, T *ap, int *info) |
template<class T > | |
static void | trmm (const char *side, const char *uplo, const char *transa, const char *diag, const int *m, const int *n, const T *alpha, const T *A, const int *lda, T *B, const int *ldb) |
template<class T > | |
static void | sygv (const int *itype, const char *jobz, const char *uplo, const int *n, T *A, const int *lda, T *B, const int *ldb, T *w, T *work, const int *lwork, int *info) |
template<class T > | |
static void | ggev (const char *jobbl, const char *jobvr, const int *n, T *A, const int *lda, T *B, const int *ldb, T *alphar, T *alphai, T *beta, T *vl, const int *ldvl, T *vr, const int *ldvr, T *work, const int *lwork, int *info) |
template<class T > | |
static void | potrf (const char *uplo, const int *n, T *A, const int *lda, int *info) |
template<class T > | |
static void | trtri (const char *uplo, const char *diag, const int *n, T *A, const int *lda, int *info) |
template<class T > | |
static void | syrk (const char *uplo, const char *trans, const int *n, const int *k, const T *alpha, const T *A, const int *lda, const T *beta, T *C, const int *ldc) |
template<class T > | |
static void | symm (const char *side, const char *uplo, const int *m, const int *n, const T *alpha, const T *A, const int *lda, const T *B, const int *ldb, const T *beta, T *C, const int *ldc) |
template<class T > | |
static void | pocon (const char *uplo, const int *n, const T *A, const int *lda, const T *anorm, T *rcond, T *work, int *iwork, int *info) |
template<class T > | |
static void | stevx (const char *jobz, const char *range, const int *n, T *d, T *e, const T *vl, const T *vu, const int *il, const int *iu, const T *abstol, int *m, T *w, T *z, const int *ldz, T *work, int *iwork, int *ifail, int *info) |
template<class T > | |
static void | stevr (const char *jobz, const char *range, const int *n, T *d, T *e, const T *vl, const T *vu, const int *il, const int *iu, const T *abstol, int *m, T *w, T *z, const int *ldz, int *isuppz, T *work, int *lwork, int *iwork, int *liwork, int *info) |
template<class T > | |
static void | syev (const char *jobz, const char *uplo, const int *n, T *a, const int *lda, T *w, T *work, const int *lwork, int *info) |
template<class T > | |
static void | gemv (const char *ta, const int *m, const int *n, const T *alpha, const T *A, const int *lda, const T *x, const int *incx, const T *beta, T *y, const int *incy) |
template<class T > | |
static void | symv (const char *uplo, const int *n, const T *alpha, const T *A, const int *lda, const T *x, const int *incx, const T *beta, T *y, const int *incy) |
template<class T > | |
static void | trmv (const char *uplo, const char *trans, const char *diag, const int *n, const T *A, const int *lda, T *x, const int *incx) |
template<class T > | |
static void | scal (const int *n, const T *da, T *dx, const int *incx) |
template<class T > | |
static T | dot (const int *n, const T *dx, const int *incx, const T *dy, const int *incy) |
template<class T > | |
static void | axpy (const int *n, const T *da, const T *dx, const int *incx, T *dy, const int *incy) |
template<> | |
void | gemm< double > (const char *ta, const char *tb, const int *n, const int *k, const int *l, const double *alpha, const double *A, const int *lda, const double *B, const int *ldb, const double *beta, double *C, const int *ldc) |
template<> | |
void | pptrf< double > (const char *uplo, const int *n, double *ap, int *info) |
template<> | |
void | spgst< double > (const int *itype, const char *uplo, const int *n, double *ap, const double *bp, int *info) |
template<> | |
void | tptri< double > (const char *uplo, const char *diag, const int *n, double *ap, int *info) |
template<> | |
void | trmm< double > (const char *side, const char *uplo, const char *transa, const char *diag, const int *m, const int *n, const double *alpha, const double *A, const int *lda, double *B, const int *ldb) |
template<> | |
void | sygv< double > (const int *itype, const char *jobz, const char *uplo, const int *n, double *A, const int *lda, double *B, const int *ldb, double *w, double *work, const int *lwork, int *info) |
template<> | |
void | ggev< double > (const char *jobbl, const char *jobvr, const int *n, double *A, const int *lda, double *B, const int *ldb, double *alphar, double *alphai, double *beta, double *vl, const int *ldvl, double *vr, const int *ldvr, double *work, const int *lwork, int *info) |
template<> | |
void | potrf< double > (const char *uplo, const int *n, double *A, const int *lda, int *info) |
template<> | |
void | trtri< double > (const char *uplo, const char *diag, const int *n, double *A, const int *lda, int *info) |
template<> | |
void | syrk< double > (const char *uplo, const char *trans, const int *n, const int *k, const double *alpha, const double *A, const int *lda, const double *beta, double *C, const int *ldc) |
template<> | |
void | symm< double > (const char *side, const char *uplo, const int *m, const int *n, const double *alpha, const double *A, const int *lda, const double *B, const int *ldb, const double *beta, double *C, const int *ldc) |
template<> | |
void | pocon< double > (const char *uplo, const int *n, const double *A, const int *lda, const double *anorm, double *rcond, double *work, int *iwork, int *info) |
template<> | |
void | stevx< double > (const char *jobz, const char *range, const int *n, double *d, double *e, const double *vl, const double *vu, const int *il, const int *iu, const double *abstol, int *m, double *w, double *z, const int *ldz, double *work, int *iwork, int *ifail, int *info) |
template<> | |
void | stevr< double > (const char *jobz, const char *range, const int *n, double *d, double *e, const double *vl, const double *vu, const int *il, const int *iu, const double *abstol, int *m, double *w, double *z, const int *ldz, int *isuppz, double *work, int *lwork, int *iwork, int *liwork, int *info) |
template<> | |
void | syev< double > (const char *jobz, const char *uplo, const int *n, double *a, const int *lda, double *w, double *work, const int *lwork, int *info) |
template<> | |
void | gemv< double > (const char *ta, const int *m, const int *n, const double *alpha, const double *A, const int *lda, const double *x, const int *incx, const double *beta, double *y, const int *incy) |
template<> | |
void | symv< double > (const char *uplo, const int *n, const double *alpha, const double *A, const int *lda, const double *x, const int *incx, const double *beta, double *y, const int *incy) |
template<> | |
void | trmv< double > (const char *uplo, const char *trans, const char *diag, const int *n, const double *A, const int *lda, double *x, const int *incx) |
template<> | |
void | scal< double > (const int *n, const double *da, double *dx, const int *incx) |
template<> | |
double | dot< double > (const int *n, const double *dx, const int *incx, const double *dy, const int *incy) |
template<> | |
void | axpy< double > (const int *n, const double *da, const double *dx, const int *incx, double *dy, const int *incy) |
template<> | |
void | gemm< float > (const char *ta, const char *tb, const int *n, const int *k, const int *l, const float *alpha, const float *A, const int *lda, const float *B, const int *ldb, const float *beta, float *C, const int *ldc) |
template<> | |
void | pptrf< float > (const char *uplo, const int *n, float *ap, int *info) |
template<> | |
void | spgst< float > (const int *itype, const char *uplo, const int *n, float *ap, const float *bp, int *info) |
template<> | |
void | tptri< float > (const char *uplo, const char *diag, const int *n, float *ap, int *info) |
template<> | |
void | trmm< float > (const char *side, const char *uplo, const char *transa, const char *diag, const int *m, const int *n, const float *alpha, const float *A, const int *lda, float *B, const int *ldb) |
template<> | |
void | sygv< float > (const int *itype, const char *jobz, const char *uplo, const int *n, float *A, const int *lda, float *B, const int *ldb, float *w, float *work, const int *lwork, int *info) |
template<> | |
void | ggev< float > (const char *jobbl, const char *jobvr, const int *n, float *A, const int *lda, float *B, const int *ldb, float *alphar, float *alphai, float *beta, float *vl, const int *ldvl, float *vr, const int *ldvr, float *work, const int *lwork, int *info) |
template<> | |
void | potrf< float > (const char *uplo, const int *n, float *A, const int *lda, int *info) |
template<> | |
void | trtri< float > (const char *uplo, const char *diag, const int *n, float *A, const int *lda, int *info) |
template<> | |
void | syrk< float > (const char *uplo, const char *trans, const int *n, const int *k, const float *alpha, const float *A, const int *lda, const float *beta, float *C, const int *ldc) |
template<> | |
void | symm< float > (const char *side, const char *uplo, const int *m, const int *n, const float *alpha, const float *A, const int *lda, const float *B, const int *ldb, const float *beta, float *C, const int *ldc) |
template<> | |
void | pocon< float > (const char *uplo, const int *n, const float *A, const int *lda, const float *anorm, float *rcond, float *work, int *iwork, int *info) |
template<> | |
void | stevx< float > (const char *jobz, const char *range, const int *n, float *d, float *e, const float *vl, const float *vu, const int *il, const int *iu, const float *abstol, int *m, float *w, float *z, const int *ldz, float *work, int *iwork, int *ifail, int *info) |
template<> | |
void | stevr< float > (const char *jobz, const char *range, const int *n, float *d, float *e, const float *vl, const float *vu, const int *il, const int *iu, const float *abstol, int *m, float *w, float *z, const int *ldz, int *isuppz, float *work, int *lwork, int *iwork, int *liwork, int *info) |
template<> | |
void | syev< float > (const char *jobz, const char *uplo, const int *n, float *a, const int *lda, float *w, float *work, const int *lwork, int *info) |
template<> | |
void | gemv< float > (const char *ta, const int *m, const int *n, const float *alpha, const float *A, const int *lda, const float *x, const int *incx, const float *beta, float *y, const int *incy) |
template<> | |
void | symv< float > (const char *uplo, const int *n, const float *alpha, const float *A, const int *lda, const float *x, const int *incx, const float *beta, float *y, const int *incy) |
template<> | |
void | trmv< float > (const char *uplo, const char *trans, const char *diag, const int *n, const float *A, const int *lda, float *x, const int *incx) |
template<> | |
void | scal< float > (const int *n, const float *da, float *dx, const int *incx) |
template<> | |
void | axpy< float > (const int *n, const float *da, const float *dx, const int *incx, float *dy, const int *incy) |
template<class Treal > | |
static void | fulltopacked (const Treal *full, Treal *packed, const int size) |
template<class Treal > | |
static void | packedtofull (const Treal *packed, Treal *full, const int size) |
template<class Treal > | |
static void | tripackedtofull (const Treal *packed, Treal *full, const int size) |
template<class Treal > | |
static void | trifulltofull (Treal *trifull, const int size) |
normType | getNormType (const char *normStr) |
std::string | getNormTypeString (normType nType) |
template<typename Treal > | |
static Treal | getMachineEpsilon () |
template<typename Treal > | |
static Treal | getRelPrecision () |
template<typename TX > | |
Xtrans< TX > | transpose (TX const &A) |
Transposition. | |
template<typename TX > | |
Xtrans< TX > | transpose (const Xtrans< TX > &xtrans) |
Transposition. | |
template<typename TX , typename TY > | |
XY< TX, TY > | operator* (Xtrans< TX > const &trAA, Xtrans< TY > const &trBB) |
Multiplication of two transposition proxys holding objects of type TX and TY respectively. | |
template<typename TX , typename TY > | |
XY< TX, TY > | operator* (TX const &AA, Xtrans< TY > const &trBB) |
Multiplication of an object of type TX with a tranposition proxy holding an object of type TY. | |
template<typename TX , typename TY > | |
XY< TX, TY > | operator* (Xtrans< TX > const &trAA, TY const &BB) |
Multiplication of a tranposition proxy holding an object of type TX with an object of type TY. | |
template<typename TX , typename TY > | |
XY< TX, TY > | operator* (TX const &AA, TY const &BB) |
Multiplication of an object of type TX with an object of type TY. | |
template<typename TX , typename TY , typename TZ > | |
XYZ< TX, TY, TZ > | operator* (XY< TX, TY > const &AB, Xtrans< TZ > const &trCC) |
Multiplication of a multiplication proxy XY with a transposition proxy Xtrans. | |
template<typename TX , typename TY , typename TZ > | |
XYZ< TX, TY, TZ > | operator* (XY< TX, TY > const &AB, TZ const &CC) |
Multiplication of a multiplication proxy XY with an object of type TZ. | |
template<typename TX , typename TY , typename TZ , typename TU , typename TV > | |
XYZpUV< TX, TY, TZ, TU, TV > | operator+ (XYZ< TX, TY, TZ > const &ABC, XY< TU, TV > const &DE) |
Addition of two multiplication proxys XYZ and XY. | |
template<typename TX , typename TY > | |
XpY< TX, TY > | operator+ (TX const &AA, TY const &BB) |
Addition of two objects of type TX and TY. | |
template<typename TX , typename TY > | |
XmY< TX, TY > | operator- (TX const &AA, TY const &BB) |
Substraction of two objects of type TX and TY. | |
template<typename Treal , typename Tmatrix > | |
Treal | trace (const XYZ< Treal, MatrixGeneral< Treal, Tmatrix >, MatrixGeneral< Treal, Tmatrix > > &smm) |
template<typename Treal , typename Tmatrix , typename Top > | |
Treal | accumulate (MatrixSymmetric< Treal, Tmatrix > &A, Top &op) |
Performs operation specified in 'op' on all nonzero matrix elements and sums up the result and returns it. | |
template<class Treal > | |
void | quicksort (const Treal *value, int *index, int low, int high) |
template<typename Treal , typename Tvector > | |
Treal | operator* (Xtrans< VectorGeneral< Treal, Tvector > > const &xT, VectorGeneral< Treal, Tvector > const &y) |
transpose(x) * y Scalar (dot) product of two vectors |
Heart of matrix library: MatrixHierarchicBase is the base class both for higher levels in the hierarchic Matrix (first part of this file) and for the specialization at the lowest level (second part of this file). Hence, functionality common to these class templates can be implemented in MatrixHierarchicBase.
The interface: The interface is in MatrixBase.h MatrixSymmetric.h MatrixGeneral.h MatrixTriangular.h.
Functions added to this file will not be visible. They have to be called from the interface classes.
Example usage: Check out API_test.cc
enum mat::inchversion |
enum mat::matrix_type |
enum mat::normType |
enum mat::property |
enum mat::side |
Treal mat::accumulate | ( | MatrixSymmetric< Treal, Tmatrix > & | A, | |
Top & | op | |||
) | [inline] |
Performs operation specified in 'op' on all nonzero matrix elements and sums up the result and returns it.
References mat::MatrixSymmetric< Treal, Tmatrix >::accumulateWith().
Referenced by testAccumulation().
T* mat::allocateElements | ( | int | n | ) | [inline] |
double * mat::allocateElements< double > | ( | int | n | ) | [inline] |
float * mat::allocateElements< float > | ( | int | n | ) | [inline] |
static void mat::axpy | ( | const int * | n, | |
const T * | da, | |||
const T * | dx, | |||
const int * | incx, | |||
T * | dy, | |||
const int * | incy | |||
) | [inline, static] |
References template_blas_axpy().
Referenced by mat::Vector< Treal, Telement >::axpy(), dft_get_uxc(), dft_get_xc(), and mat::VectorGeneral< Treal, Tvector >::operator+=().
void mat::axpy< double > | ( | const int * | n, | |
const double * | da, | |||
const double * | dx, | |||
const int * | incx, | |||
double * | dy, | |||
const int * | incy | |||
) | [inline] |
void mat::axpy< float > | ( | const int * | n, | |
const float * | da, | |||
const float * | dx, | |||
const int * | incx, | |||
float * | dy, | |||
const int * | incy | |||
) | [inline] |
Treal mat::bisection | ( | Tfun const & | fun, | |
Treal | min, | |||
Treal | max, | |||
Treal const | tol | |||
) | [inline] |
Bisection algorithm for root finding.
The bisection method finds the root of a function in the interval [min, max], or more precisely the place where the function changes sign. It is assumed that the function only changes sign once in the given interval.
The function is given by a class that has a member function named eval that evaluates the function in the given point.
References sign(), and template_blas_fabs().
Referenced by mat::TC2< Treal, Tmatrix >::fermi_level(), mat::TC2< Treal, Tmatrix >::homo(), and mat::TC2< Treal, Tmatrix >::lumo().
static void mat::copy_file | ( | const char * | sourceFileName, | |
const char * | destFileName | |||
) | [static] |
References get_file_size().
Referenced by mat::FileWritable::FileWritable(), and mat::FileWritable::operator=().
static T mat::dot | ( | const int * | n, | |
const T * | dx, | |||
const int * | incx, | |||
const T * | dy, | |||
const int * | incy | |||
) | [inline, static] |
References template_blas_dot().
Referenced by mat::Vector< Treal, Telement >::dot(), dotIsBroken(), and operator*().
double mat::dot< double > | ( | const int * | n, | |
const double * | dx, | |||
const int * | incx, | |||
const double * | dy, | |||
const int * | incy | |||
) | [inline] |
Interval<Treal> mat::euclIfSmall | ( | Tmatrix const & | M, | |
Treal const | requestedAbsAccuracy, | |||
Treal const | requestedRelAccuracy, | |||
Treal const | maxAbsVal, | |||
typename Tmatrix::VectorType *const | eVecPtr = 0 , |
|||
int | maxIter = -1 | |||
) | [inline] |
Returns interval containing the Euclidean norm of the matrix M.
If it is smaller than 'maxAbsVal' it is computed with the 'requestedAccuracy'. If the norm is larger than 'maxAbsVal', the returned interval is based on the Frobenius norm.
References cols, mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >::getLargestMagnitudeEig(), mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >::getLargestMagnitudeEigPair(), mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >::largestMagEigIsSmall(), mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >::run(), mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >::setAbsTol(), mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >::setRelTol(), and template_blas_fabs().
Referenced by mat::MatrixSymmetric< Treal, Tmatrix >::eucl_diff(), and mat::MatrixSymmetric< Treal, Tmatrix >::euclDiffIfSmall().
static void mat::fileread | ( | Treal * | ptr, | |
int | size, | |||
FILE * | file | |||
) | [inline, static] |
void mat::freeElements | ( | T * | ptr | ) | [inline] |
void mat::freeElements | ( | double * | ptr | ) | [inline] |
void mat::freeElements | ( | float * | ptr | ) | [inline] |
Referenced by mat::Vector< Treal >::clear(), mat::Vector< Treal, Telement >::clear(), mat::Matrix< Treal >::clear(), mat::Matrix< Treal, Telement >::clear(), mat::VectorHierarchicBase< Treal, Telement >::operator=(), mat::MatrixHierarchicBase< Treal, Telement >::operator=(), mat::VectorHierarchicBase< Treal >::resetRows(), mat::Matrix< Treal >::transpose(), mat::Matrix< Treal, Telement >::transpose(), mat::MatrixHierarchicBase< Treal, Telement >::~MatrixHierarchicBase(), and mat::VectorHierarchicBase< Treal, Telement >::~VectorHierarchicBase().
static Treal mat::frobdiff | ( | const Treal * | f1, | |
const Treal * | f2, | |||
int | size | |||
) | [inline, static] |
References template_blas_sqrt().
static void mat::fulltopacked | ( | const Treal * | full, | |
Treal * | packed, | |||
const int | size | |||
) | [inline, static] |
static void mat::gemm | ( | const char * | ta, | |
const char * | tb, | |||
const int * | n, | |||
const int * | k, | |||
const int * | l, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | B, | |||
const int * | ldb, | |||
const T * | beta, | |||
T * | C, | |||
const int * | ldc | |||
) | [inline, static] |
References template_blas_gemm().
Referenced by benchmark_mm(), XCDistributorGgaBlas::distribute(), XCDistributorLdaBlas::distribute(), mat::Matrix< Treal >::gemm(), mat::Matrix< Treal, Telement >::gemm(), mat::Matrix< Treal, Telement >::gemm_upper_tr_only(), getrho_blocked_gga(), getrho_blocked_lda(), main(), mainFun(), multiply_matrices_general(), mat::MatrixGeneral< Treal, Tmatrix >::operator+=(), mat::MatrixGeneral< Treal, Tmatrix >::operator=(), mat::Matrix< Treal, Telement >::ssmm(), mat::Matrix< Treal, Telement >::ssmm_upper_tr_only(), mat::Matrix< Treal, Telement >::syInch(), mat::Matrix< Treal, Telement >::symm(), mat::Matrix< Treal, Telement >::syrk(), mat::Matrix< Treal, Telement >::sysq(), mat::Matrix< Treal, Telement >::sytr_upper_tr_only(), mat::Matrix< Treal, Telement >::trmm(), and mat::Matrix< Treal, Telement >::trmm_upper_tr_only().
void mat::gemm< double > | ( | const char * | ta, | |
const char * | tb, | |||
const int * | n, | |||
const int * | k, | |||
const int * | l, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | B, | |||
const int * | ldb, | |||
const double * | beta, | |||
double * | C, | |||
const int * | ldc | |||
) | [inline] |
void mat::gemm< float > | ( | const char * | ta, | |
const char * | tb, | |||
const int * | n, | |||
const int * | k, | |||
const int * | l, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | B, | |||
const int * | ldb, | |||
const float * | beta, | |||
float * | C, | |||
const int * | ldc | |||
) | [inline] |
static void mat::gemv | ( | const char * | ta, | |
const int * | m, | |||
const int * | n, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | x, | |||
const int * | incx, | |||
const T * | beta, | |||
T * | y, | |||
const int * | incy | |||
) | [inline, static] |
void mat::gemv< double > | ( | const char * | ta, | |
const int * | m, | |||
const int * | n, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | x, | |||
const int * | incx, | |||
const double * | beta, | |||
double * | y, | |||
const int * | incy | |||
) | [inline] |
void mat::gemv< float > | ( | const char * | ta, | |
const int * | m, | |||
const int * | n, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | x, | |||
const int * | incx, | |||
const float * | beta, | |||
float * | y, | |||
const int * | incy | |||
) | [inline] |
static long int mat::get_file_size | ( | const char * | fileName | ) | [static] |
static Treal mat::getMachineEpsilon | ( | ) | [inline, static] |
std::string mat::getNormTypeString | ( | normType | nType | ) |
Referenced by GetDensFromFock::get_dens_from_fock_sparse().
static Treal mat::getRelPrecision | ( | ) | [inline, static] |
static void mat::ggev | ( | const char * | jobbl, | |
const char * | jobvr, | |||
const int * | n, | |||
T * | A, | |||
const int * | lda, | |||
T * | B, | |||
const int * | ldb, | |||
T * | alphar, | |||
T * | alphai, | |||
T * | beta, | |||
T * | vl, | |||
const int * | ldvl, | |||
T * | vr, | |||
const int * | ldvr, | |||
T * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_ggev().
Referenced by get_all_generalized_eigenvalues(), and LR::EigenSolver::getResidual().
void mat::ggev< double > | ( | const char * | jobbl, | |
const char * | jobvr, | |||
const int * | n, | |||
double * | A, | |||
const int * | lda, | |||
double * | B, | |||
const int * | ldb, | |||
double * | alphar, | |||
double * | alphai, | |||
double * | beta, | |||
double * | vl, | |||
const int * | ldvl, | |||
double * | vr, | |||
const int * | ldvr, | |||
double * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
void mat::ggev< float > | ( | const char * | jobbl, | |
const char * | jobvr, | |||
const int * | n, | |||
float * | A, | |||
const int * | lda, | |||
float * | B, | |||
const int * | ldb, | |||
float * | alphar, | |||
float * | alphai, | |||
float * | beta, | |||
float * | vl, | |||
const int * | ldvl, | |||
float * | vr, | |||
const int * | ldvr, | |||
float * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
static Treal mat::maxdiff | ( | const Treal * | f1, | |
const Treal * | f2, | |||
int | size | |||
) | [inline, static] |
References template_blas_fabs().
Referenced by read_sparse_matrix().
static Treal mat::maxdiff_tri | ( | const Treal * | f1, | |
const Treal * | f2, | |||
int | size | |||
) | [inline, static] |
References template_blas_fabs().
Treal mat::operator* | ( | Xtrans< VectorGeneral< Treal, Tvector > > const & | xT, | |
VectorGeneral< Treal, Tvector > const & | y | |||
) | [inline] |
transpose(x) * y Scalar (dot) product of two vectors
References dot(), and mat::VectorGeneral< Treal, Tvector >::getVector().
XYZ<TX, TY, TZ> mat::operator* | ( | XY< TX, TY > const & | AB, | |
TZ const & | CC | |||
) | [inline] |
Multiplication of a multiplication proxy XY with an object of type TZ.
Returns multiplication proxy XYZ.
References mat::XY< TX, TY >::A, mat::XY< TX, TY >::B, mat::XY< TX, TY >::tA, and mat::XY< TX, TY >::tB.
XYZ<TX, TY, TZ> mat::operator* | ( | XY< TX, TY > const & | AB, | |
Xtrans< TZ > const & | trCC | |||
) | [inline] |
Multiplication of a multiplication proxy XY with a transposition proxy Xtrans.
Returns multiplication proxy XYZ.
References mat::Xtrans< TX >::A, mat::XY< TX, TY >::A, mat::XY< TX, TY >::B, mat::Xtrans< TX >::tA, mat::XY< TX, TY >::tA, and mat::XY< TX, TY >::tB.
XY<TX, TY> mat::operator* | ( | TX const & | AA, | |
TY const & | BB | |||
) | [inline] |
Multiplication of an object of type TX with an object of type TY.
Returns multiplication proxy XY.
XY<TX, TY> mat::operator* | ( | Xtrans< TX > const & | trAA, | |
TY const & | BB | |||
) | [inline] |
Multiplication of a tranposition proxy holding an object of type TX with an object of type TY.
Returns multiplication proxy XY.
References mat::Xtrans< TX >::A, and mat::Xtrans< TX >::tA.
XY<TX, TY> mat::operator* | ( | TX const & | AA, | |
Xtrans< TY > const & | trBB | |||
) | [inline] |
Multiplication of an object of type TX with a tranposition proxy holding an object of type TY.
Returns multiplication proxy XY.
References mat::Xtrans< TX >::A, and mat::Xtrans< TX >::tA.
XY<TX, TY> mat::operator* | ( | Xtrans< TX > const & | trAA, | |
Xtrans< TY > const & | trBB | |||
) | [inline] |
Multiplication of two transposition proxys holding objects of type TX and TY respectively.
Returns multiplication proxy XY.
References mat::Xtrans< TX >::A, and mat::Xtrans< TX >::tA.
XpY<TX, TY> mat::operator+ | ( | TX const & | AA, | |
TY const & | BB | |||
) | [inline] |
Addition of two objects of type TX and TY.
XYZpUV<TX, TY, TZ, TU, TV> mat::operator+ | ( | XYZ< TX, TY, TZ > const & | ABC, | |
XY< TU, TV > const & | DE | |||
) | [inline] |
Addition of two multiplication proxys XYZ and XY.
Returns multiplication and addition proxy XYZpUV.
References mat::XY< TX, TY >::A, mat::XYZ< TX, TY, TZ >::A, mat::XY< TX, TY >::B, mat::XYZ< TX, TY, TZ >::B, mat::XYZ< TX, TY, TZ >::C, mat::XY< TX, TY >::tA, mat::XYZ< TX, TY, TZ >::tA, mat::XY< TX, TY >::tB, mat::XYZ< TX, TY, TZ >::tB, and mat::XYZ< TX, TY, TZ >::tC.
XmY<TX, TY> mat::operator- | ( | TX const & | AA, | |
TY const & | BB | |||
) | [inline] |
Substraction of two objects of type TX and TY.
std::ostream& mat::operator<< | ( | std::ostream & | s, | |
Interval< Treal > const & | in | |||
) | [inline] |
static void mat::packedtofull | ( | const Treal * | packed, | |
Treal * | full, | |||
const int | size | |||
) | [inline, static] |
Referenced by mainFun().
static void mat::pocon | ( | const char * | uplo, | |
const int * | n, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | anorm, | |||
T * | rcond, | |||
T * | work, | |||
int * | iwork, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_pocon().
void mat::pocon< double > | ( | const char * | uplo, | |
const int * | n, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | anorm, | |||
double * | rcond, | |||
double * | work, | |||
int * | iwork, | |||
int * | info | |||
) | [inline] |
void mat::pocon< float > | ( | const char * | uplo, | |
const int * | n, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | anorm, | |||
float * | rcond, | |||
float * | work, | |||
int * | iwork, | |||
int * | info | |||
) | [inline] |
static void mat::potrf | ( | const char * | uplo, | |
const int * | n, | |||
T * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_potrf().
Referenced by mat::Matrix< Treal >::inch().
void mat::potrf< double > | ( | const char * | uplo, | |
const int * | n, | |||
double * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline] |
void mat::potrf< float > | ( | const char * | uplo, | |
const int * | n, | |||
float * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline] |
static void mat::pptrf | ( | const char * | uplo, | |
const int * | n, | |||
T * | ap, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_pptrf().
Referenced by mainFun().
void mat::pptrf< double > | ( | const char * | uplo, | |
const int * | n, | |||
double * | ap, | |||
int * | info | |||
) | [inline] |
void mat::pptrf< float > | ( | const char * | uplo, | |
const int * | n, | |||
float * | ap, | |||
int * | info | |||
) | [inline] |
void mat::quicksort | ( | const Treal * | value, | |
int * | index, | |||
int | low, | |||
int | high | |||
) | [inline] |
static void mat::read_matrix | ( | Tmatrix & | A, | |
char const *const | matrixPath, | |||
int const | size | |||
) | [inline, static] |
Referenced by get_matrix_from_binary(), get_matrix_from_binary_vec(), and get_matrix_from_full().
static void mat::read_sparse_matrix | ( | Tmatrix & | A, | |
char const *const | rowPath, | |||
char const *const | colPath, | |||
char const *const | valPath, | |||
int const | nval | |||
) | [inline, static] |
References maxdiff(), and template_blas_fabs().
static void mat::read_xyz | ( | Treal * | x, | |
Treal * | y, | |||
Treal * | z, | |||
char * | atomsPath, | |||
int const | natoms, | |||
int const | size | |||
) | [inline, static] |
static void mat::scal | ( | const int * | n, | |
const T * | da, | |||
T * | dx, | |||
const int * | incx | |||
) | [inline, static] |
References template_blas_scal().
Referenced by mat::Vector< Treal >::operator*=().
void mat::scal< double > | ( | const int * | n, | |
const double * | da, | |||
double * | dx, | |||
const int * | incx | |||
) | [inline] |
void mat::scal< float > | ( | const int * | n, | |
const float * | da, | |||
float * | dx, | |||
const int * | incx | |||
) | [inline] |
int mat::sign | ( | Treal | value | ) | [inline] |
Sign function returns the sign of the input.
1 for positive, -1 for negative and 0 for zero.
Referenced by bisection(), get_1e_density_matrix(), and get_2e_density_matrix().
static void mat::spgst | ( | const int * | itype, | |
const char * | uplo, | |||
const int * | n, | |||
T * | ap, | |||
const T * | bp, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_spgst().
void mat::spgst< double > | ( | const int * | itype, | |
const char * | uplo, | |||
const int * | n, | |||
double * | ap, | |||
const double * | bp, | |||
int * | info | |||
) | [inline] |
void mat::spgst< float > | ( | const int * | itype, | |
const char * | uplo, | |||
const int * | n, | |||
float * | ap, | |||
const float * | bp, | |||
int * | info | |||
) | [inline] |
Interval<Treal> mat::sqrtInt | ( | Interval< Treal > const & | other | ) | [inline] |
static void mat::stevr | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
T * | d, | |||
T * | e, | |||
const T * | vl, | |||
const T * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const T * | abstol, | |||
int * | m, | |||
T * | w, | |||
T * | z, | |||
const int * | ldz, | |||
int * | isuppz, | |||
T * | work, | |||
int * | lwork, | |||
int * | iwork, | |||
int * | liwork, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_stevr().
Referenced by mat::arn::MatrixTridiagSymmetric< Treal >::getEigsByIndex().
void mat::stevr< double > | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
double * | d, | |||
double * | e, | |||
const double * | vl, | |||
const double * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const double * | abstol, | |||
int * | m, | |||
double * | w, | |||
double * | z, | |||
const int * | ldz, | |||
int * | isuppz, | |||
double * | work, | |||
int * | lwork, | |||
int * | iwork, | |||
int * | liwork, | |||
int * | info | |||
) | [inline] |
void mat::stevr< float > | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
float * | d, | |||
float * | e, | |||
const float * | vl, | |||
const float * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const float * | abstol, | |||
int * | m, | |||
float * | w, | |||
float * | z, | |||
const int * | ldz, | |||
int * | isuppz, | |||
float * | work, | |||
int * | lwork, | |||
int * | iwork, | |||
int * | liwork, | |||
int * | info | |||
) | [inline] |
static void mat::stevx | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
T * | d, | |||
T * | e, | |||
const T * | vl, | |||
const T * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const T * | abstol, | |||
int * | m, | |||
T * | w, | |||
T * | z, | |||
const int * | ldz, | |||
T * | work, | |||
int * | iwork, | |||
int * | ifail, | |||
int * | info | |||
) | [inline, static] |
void mat::stevx< double > | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
double * | d, | |||
double * | e, | |||
const double * | vl, | |||
const double * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const double * | abstol, | |||
int * | m, | |||
double * | w, | |||
double * | z, | |||
const int * | ldz, | |||
double * | work, | |||
int * | iwork, | |||
int * | ifail, | |||
int * | info | |||
) | [inline] |
void mat::stevx< float > | ( | const char * | jobz, | |
const char * | range, | |||
const int * | n, | |||
float * | d, | |||
float * | e, | |||
const float * | vl, | |||
const float * | vu, | |||
const int * | il, | |||
const int * | iu, | |||
const float * | abstol, | |||
int * | m, | |||
float * | w, | |||
float * | z, | |||
const int * | ldz, | |||
float * | work, | |||
int * | iwork, | |||
int * | ifail, | |||
int * | info | |||
) | [inline] |
static void mat::syev | ( | const char * | jobz, | |
const char * | uplo, | |||
const int * | n, | |||
T * | a, | |||
const int * | lda, | |||
T * | w, | |||
T * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_syev().
Referenced by get_all_eigenvalues_of_matrix(), get_density_mat_by_diagonalization(), get_eigs(), get_largest_eigenvalue(), and get_Lowdin_orbitals().
void mat::syev< double > | ( | const char * | jobz, | |
const char * | uplo, | |||
const int * | n, | |||
double * | a, | |||
const int * | lda, | |||
double * | w, | |||
double * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
void mat::syev< float > | ( | const char * | jobz, | |
const char * | uplo, | |||
const int * | n, | |||
float * | a, | |||
const int * | lda, | |||
float * | w, | |||
float * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
static void mat::sygv | ( | const int * | itype, | |
const char * | jobz, | |||
const char * | uplo, | |||
const int * | n, | |||
T * | A, | |||
const int * | lda, | |||
T * | B, | |||
const int * | ldb, | |||
T * | w, | |||
T * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_sygv().
Referenced by get_F_orbs(), and LR::LRSolver::setE2diag().
void mat::sygv< double > | ( | const int * | itype, | |
const char * | jobz, | |||
const char * | uplo, | |||
const int * | n, | |||
double * | A, | |||
const int * | lda, | |||
double * | B, | |||
const int * | ldb, | |||
double * | w, | |||
double * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
void mat::sygv< float > | ( | const int * | itype, | |
const char * | jobz, | |||
const char * | uplo, | |||
const int * | n, | |||
float * | A, | |||
const int * | lda, | |||
float * | B, | |||
const int * | ldb, | |||
float * | w, | |||
float * | work, | |||
const int * | lwork, | |||
int * | info | |||
) | [inline] |
static void mat::symm | ( | const char * | side, | |
const char * | uplo, | |||
const int * | m, | |||
const int * | n, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | B, | |||
const int * | ldb, | |||
const T * | beta, | |||
T * | C, | |||
const int * | ldc | |||
) | [inline, static] |
void mat::symm< double > | ( | const char * | side, | |
const char * | uplo, | |||
const int * | m, | |||
const int * | n, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | B, | |||
const int * | ldb, | |||
const double * | beta, | |||
double * | C, | |||
const int * | ldc | |||
) | [inline] |
void mat::symm< float > | ( | const char * | side, | |
const char * | uplo, | |||
const int * | m, | |||
const int * | n, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | B, | |||
const int * | ldb, | |||
const float * | beta, | |||
float * | C, | |||
const int * | ldc | |||
) | [inline] |
static void mat::symv | ( | const char * | uplo, | |
const int * | n, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | x, | |||
const int * | incx, | |||
const T * | beta, | |||
T * | y, | |||
const int * | incy | |||
) | [inline, static] |
References template_blas_symv().
Referenced by mainFun(), mat::VectorGeneral< Treal, Tvector >::operator+=(), and mat::VectorGeneral< Treal, Tvector >::operator=().
void mat::symv< double > | ( | const char * | uplo, | |
const int * | n, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | x, | |||
const int * | incx, | |||
const double * | beta, | |||
double * | y, | |||
const int * | incy | |||
) | [inline] |
void mat::symv< float > | ( | const char * | uplo, | |
const int * | n, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | x, | |||
const int * | incx, | |||
const float * | beta, | |||
float * | y, | |||
const int * | incy | |||
) | [inline] |
static void mat::syrk | ( | const char * | uplo, | |
const char * | trans, | |||
const int * | n, | |||
const int * | k, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
const T * | beta, | |||
T * | C, | |||
const int * | ldc | |||
) | [inline, static] |
void mat::syrk< double > | ( | const char * | uplo, | |
const char * | trans, | |||
const int * | n, | |||
const int * | k, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
const double * | beta, | |||
double * | C, | |||
const int * | ldc | |||
) | [inline] |
void mat::syrk< float > | ( | const char * | uplo, | |
const char * | trans, | |||
const int * | n, | |||
const int * | k, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
const float * | beta, | |||
float * | C, | |||
const int * | ldc | |||
) | [inline] |
static void mat::tptri | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
T * | ap, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_tptri().
Referenced by mainFun().
void mat::tptri< double > | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
double * | ap, | |||
int * | info | |||
) | [inline] |
void mat::tptri< float > | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
float * | ap, | |||
int * | info | |||
) | [inline] |
Treal mat::trace | ( | const XYZ< Treal, MatrixGeneral< Treal, Tmatrix >, MatrixGeneral< Treal, Tmatrix > > & | smm | ) | [inline] |
Xtrans<TX> mat::transpose | ( | const Xtrans< TX > & | xtrans | ) | [inline] |
Transposition.
Returns a transposition proxy of an object of type Xtrans<TX>. Only for correct treatment of repeated transposition, e.g. transpose(transpose(A))
References mat::Xtrans< TX >::A, and mat::Xtrans< TX >::tA.
Xtrans<TX> mat::transpose | ( | TX const & | A | ) | [inline] |
Transposition.
Returns a transposition proxy of an object of type TX.
Referenced by eigvec::compute_rayleigh_quotient(), Vxc_worker::ComputeMatrix(), Kworker::ComputeMatrix(), Jworker::ComputeMatrix(), ComplexMatrix::do_conjugate(), do_tdhf_dynamics(), do_truncation(), SCF_unrestricted::get_2e_part_and_energy(), SCF_restricted::get_2e_part_and_energy(), GetDensFromFock::get_dens_from_fock_sparse(), get_Fock_matrix_in_ort_basis(), load_density_and_project_sparse(), main(), mainFun(), mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >::matVecProd(), mat::TripleMatrix< Tmatrix, Tmatrix2, Treal >::matVecProd(), mat::ATAMatrix< Tmatrix, Treal >::matVecProd(), mat::MatrixGeneral< Treal, Tmatrix >::operator=(), mat::MatrixBase< Treal, Tmatrix >::operator=(), eigvec::power_method(), report_subspace_error(), mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >::rerun(), SCF_general::SCF_general(), mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >::selective_orth(), mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >::step(), mat::arn::Lanczos< Treal, Tmatrix, Tvector >::step(), mat::Matrix< Treal, Telement >::symToNosym(), SCF_restricted::transform_with_invChol(), and mat::Matrix< Treal, Telement >::transpose().
static void mat::trifulltofull | ( | Treal * | trifull, | |
const int | size | |||
) | [inline, static] |
Referenced by mat::Matrix< Treal >::inch().
static void mat::tripackedtofull | ( | const Treal * | packed, | |
Treal * | full, | |||
const int | size | |||
) | [inline, static] |
Referenced by mainFun().
static void mat::trmm | ( | const char * | side, | |
const char * | uplo, | |||
const char * | transa, | |||
const char * | diag, | |||
const int * | m, | |||
const int * | n, | |||
const T * | alpha, | |||
const T * | A, | |||
const int * | lda, | |||
T * | B, | |||
const int * | ldb | |||
) | [inline, static] |
References template_blas_trmm().
Referenced by mainFun(), and mat::MatrixGeneral< Treal, Tmatrix >::operator=().
void mat::trmm< double > | ( | const char * | side, | |
const char * | uplo, | |||
const char * | transa, | |||
const char * | diag, | |||
const int * | m, | |||
const int * | n, | |||
const double * | alpha, | |||
const double * | A, | |||
const int * | lda, | |||
double * | B, | |||
const int * | ldb | |||
) | [inline] |
void mat::trmm< float > | ( | const char * | side, | |
const char * | uplo, | |||
const char * | transa, | |||
const char * | diag, | |||
const int * | m, | |||
const int * | n, | |||
const float * | alpha, | |||
const float * | A, | |||
const int * | lda, | |||
float * | B, | |||
const int * | ldb | |||
) | [inline] |
static void mat::trmv | ( | const char * | uplo, | |
const char * | trans, | |||
const char * | diag, | |||
const int * | n, | |||
const T * | A, | |||
const int * | lda, | |||
T * | x, | |||
const int * | incx | |||
) | [inline, static] |
References template_blas_trmv().
Referenced by mainFun(), and mat::VectorGeneral< Treal, Tvector >::operator=().
void mat::trmv< double > | ( | const char * | uplo, | |
const char * | trans, | |||
const char * | diag, | |||
const int * | n, | |||
const double * | A, | |||
const int * | lda, | |||
double * | x, | |||
const int * | incx | |||
) | [inline] |
void mat::trmv< float > | ( | const char * | uplo, | |
const char * | trans, | |||
const char * | diag, | |||
const int * | n, | |||
const float * | A, | |||
const int * | lda, | |||
float * | x, | |||
const int * | incx | |||
) | [inline] |
static void mat::trtri | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
T * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline, static] |
References template_lapack_trtri().
Referenced by mat::Matrix< Treal >::inch().
void mat::trtri< double > | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
double * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline] |
void mat::trtri< float > | ( | const char * | uplo, | |
const char * | diag, | |||
const int * | n, | |||
float * | A, | |||
const int * | lda, | |||
int * | info | |||
) | [inline] |