MPQC  3.0.0-alpha
sc::ReplSCMatrix Class Reference
Inheritance diagram for sc::ReplSCMatrix:
sc::SCMatrix sc::DescribedClass sc::RefCount

Public Member Functions

 ReplSCMatrix (const RefSCDimension &, const RefSCDimension &, ReplSCMatrixKit *)
 
void assign_val (double)
 Overridden to implement to assign members.
 
double get_element (int, int) const
 Return or modify an element.
 
void set_element (int, int, double)
 
void accumulate_element (int, int, double)
 
SCMatrixget_subblock (int, int, int, int)
 Return a subblock of this. More...
 
void assign_subblock (SCMatrix *, int, int, int, int, int=0, int=0)
 Assign m to a subblock of this.
 
void accumulate_subblock (SCMatrix *, int, int, int, int, int=0, int=0)
 Sum m into a subblock of this.
 
SCVectorget_row (int i)
 Return a row or column of this.
 
SCVectorget_column (int i)
 
void assign_row (SCVector *v, int i)
 Assign v to a row or column of this.
 
void assign_column (SCVector *v, int i)
 
void accumulate_row (SCVector *v, int i)
 Sum v to a row or column of this.
 
void accumulate_column (SCVector *v, int i)
 
void assign_p (const double *)
 
void assign_pp (const double **)
 
void convert_p (double *) const
 
void convert_pp (double **) const
 
void accumulate_outer_product (SCVector *, SCVector *)
 Sum into this the products of various vectors or matrices.
 
void accumulate_product_rr (SCMatrix *, SCMatrix *)
 
void accumulate_product_rs (SCMatrix *, SymmSCMatrix *)
 
void accumulate_product_rd (SCMatrix *, DiagSCMatrix *)
 
void accumulate (const SCMatrix *)
 Sum m into this.
 
void accumulate (const SymmSCMatrix *)
 
void accumulate (const DiagSCMatrix *)
 
void accumulate (const SCVector *)
 
void transpose_this ()
 Transpose this.
 
double invert_this ()
 Invert this.
 
void svd_this (SCMatrix *U, DiagSCMatrix *sigma, SCMatrix *V)
 Compute the singular value decomposition for this, possibly destroying this.
 
double solve_this (SCVector *)
 
double determ_this ()
 Return the determinant of this. this is overwritten.
 
double trace ()
 Return the trace.
 
void schmidt_orthog (SymmSCMatrix *, int)
 Schmidt orthogonalize this. More...
 
int schmidt_orthog_tol (SymmSCMatrix *, double tol, double *res=0)
 Schmidt orthogonalize this. More...
 
void element_op (const Ref< SCElementOp > &)
 Perform the element operation op on each element of this.
 
void element_op (const Ref< SCElementOp2 > &, SCMatrix *)
 
void element_op (const Ref< SCElementOp3 > &, SCMatrix *, SCMatrix *)
 
void vprint (const char *title=0, std::ostream &out=ExEnv::out0(), int=10) const
 
double * get_data ()
 
double ** get_rows ()
 
Ref< SCMatrixSubblockIterlocal_blocks (SCMatrixSubblockIter::Access)
 Returns iterators for the local (rapidly accessible) blocks used in this matrix.
 
Ref< SCMatrixSubblockIterall_blocks (SCMatrixSubblockIter::Access)
 Returns iterators for the all blocks used in this matrix.
 
Ref< ReplSCMatrixKitskit ()
 
- Public Member Functions inherited from sc::SCMatrix
 SCMatrix (const RefSCDimension &, const RefSCDimension &, SCMatrixKit *)
 
virtual void save (StateOut &)
 Save and restore this in an implementation independent way.
 
virtual void restore (StateIn &)
 
Ref< SCMatrixKitkit () const
 Return the SCMatrixKit used to create this object.
 
int nrow () const
 Return the number of rows.
 
int ncol () const
 Return the number of columns.
 
virtual double maxabs () const
 Return the maximum absolute value element.
 
virtual void randomize ()
 Assign each element to a random number between -1 and 1.
 
void assign (double val)
 Set all elements to val.
 
void assign (const double *m)
 Assign element i, j to m[ir*nrow()+j].
 
void assign (const double **m)
 Assign element i, j to m[i][j].
 
void assign (SCMatrix *m)
 Make this have the same elements as m. The dimensions must match.
 
virtual void assign_r (SCMatrix *m)
 
void convert (double *a) const
 Like the assign members, but these write values to the arguments.
 
void convert (double **a) const
 
void convert (SCMatrix *a)
 
virtual void convert_r (SCMatrix *a)
 
virtual void convert_accumulate (SCMatrix *)
 
virtual void scale (double val)
 Multiply all elements by val.
 
virtual void scale_diagonal (double val)
 Scale the diagonal elements by val.
 
virtual void shift_diagonal (double val)
 Shift the diagonal elements by val.
 
virtual void unit ()
 Make this equal to the unit matrix.
 
virtual SCMatrixcopy ()
 Return a matrix with the same dimension and same elements.
 
virtual SCMatrixclone ()
 Return a matrix with the same dimension but uninitialized memory.
 
RefSCDimension rowdim () const
 Return the row or column dimension.
 
RefSCDimension coldim () const
 
void accumulate_product (SCMatrix *m1, SCMatrix *m2)
 
void accumulate_product (SCMatrix *m1, SymmSCMatrix *m2)
 
void accumulate_product (SCMatrix *m1, DiagSCMatrix *m2)
 
void accumulate_product (SymmSCMatrix *m1, SCMatrix *m2)
 
void accumulate_product (DiagSCMatrix *m1, SCMatrix *m2)
 
void accumulate_product (SymmSCMatrix *m1, SymmSCMatrix *m2)
 
void accumulate_product (SymmSCMatrix *m1, DiagSCMatrix *m2)
 
void accumulate_product (DiagSCMatrix *m1, SymmSCMatrix *m2)
 
virtual void accumulate_product_sr (SymmSCMatrix *, SCMatrix *)
 
virtual void accumulate_product_dr (DiagSCMatrix *, SCMatrix *)
 
virtual void accumulate_product_ss (SymmSCMatrix *, SymmSCMatrix *)
 
virtual void accumulate_product_sd (SymmSCMatrix *, DiagSCMatrix *)
 
virtual void accumulate_product_ds (DiagSCMatrix *, SymmSCMatrix *)
 
virtual void gen_invert_this (double condition_number_threshold=1e8)
 Return the generalized inverse of this using SVD decomposition. More...
 
void print (std::ostream &o=ExEnv::out0()) const
 Print out the matrix.
 
void print (const char *title=0, std::ostream &out=ExEnv::out0(), int=10) const
 
Ref< MessageGrpmessagegrp () const
 Returns the message group used by the matrix kit.
 
- Public Member Functions inherited from sc::DescribedClass
 DescribedClass (const DescribedClass &)
 
DescribedClassoperator= (const DescribedClass &)
 
ClassDescclass_desc () const MPQC__NOEXCEPT
 This returns the unique pointer to the ClassDesc corresponding to the given type_info object. More...
 
const char * class_name () const
 Return the name of the object's exact type.
 
int class_version () const
 Return the version of the class.
 
Ref< DescribedClassref ()
 Return this object wrapped up in a Ref smart pointer. More...
 
- Public Member Functions inherited from sc::RefCount
size_t identifier () const
 Return the unique identifier for this object that can be compared for different objects of different types. More...
 
int lock_ptr () const
 Lock this object.
 
int unlock_ptr () const
 Unlock this object.
 
void use_locks (bool inVal)
 start and stop using locks on this object
 
refcount_t nreference () const
 Return the reference count.
 
refcount_t reference ()
 Increment the reference count and return the new count.
 
refcount_t dereference ()
 Decrement the reference count and return the new count.
 
int managed () const
 
void unmanage ()
 Turn off the reference counting mechanism for this object. More...
 

Protected Member Functions

size_t compute_offset (int, int) const
 
void init_blocklist ()
 
void before_elemop ()
 
void after_elemop ()
 
- Protected Member Functions inherited from sc::RefCount
 RefCount (const RefCount &)
 
RefCountoperator= (const RefCount &)
 

Protected Attributes

Ref< SCMatrixBlockListblocklist
 
double * matrix
 
double ** rows
 
- Protected Attributes inherited from sc::SCMatrix
RefSCDimension d1
 
RefSCDimension d2
 
Ref< SCMatrixKitkit_
 

Friends

class ReplSymmSCMatrix
 
class ReplDiagSCMatrix
 
class ReplSCVector
 

Additional Inherited Members

- Public Types inherited from sc::SCMatrix
enum  Transform { NormalTransform = 0, TransposeTransform = 1 }
 types of matrix transforms. Only real-valued matrices are assumed.
 

Member Function Documentation

◆ get_subblock()

SCMatrix* sc::ReplSCMatrix::get_subblock ( int  br,
int  er,
int  bc,
int  ec 
)
virtual

Return a subblock of this.

The subblock is defined as the rows starting at br and ending at er, and the columns beginning at bc and ending at ec.

Implements sc::SCMatrix.

◆ schmidt_orthog()

void sc::ReplSCMatrix::schmidt_orthog ( SymmSCMatrix ,
int  n 
)
virtual

Schmidt orthogonalize this.

S is the overlap matrix. n is the number of columns to orthogonalize.

Implements sc::SCMatrix.

◆ schmidt_orthog_tol()

int sc::ReplSCMatrix::schmidt_orthog_tol ( SymmSCMatrix ,
double  tol,
double *  res = 0 
)
virtual

Schmidt orthogonalize this.

S is the overlap matrix. tol is the tolerance. The number of linearly independent vectors is returned.

Implements sc::SCMatrix.


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

Generated at Sun Jan 26 2020 23:24:11 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.