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sc::BlockedSCMatrix(3) MPQC sc::BlockedSCMatrix(3)

sc::BlockedSCMatrix

Inherits sc::SCMatrix.


BlockedSCMatrix (const RefSCDimension &, const RefSCDimension &, BlockedSCMatrixKit *)
void save (StateOut &)
Save and restore this in an implementation independent way. void restore (StateIn &)
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)
SCMatrix * get_subblock (int, int, int, int)
Return a subblock of this. 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. SCVector * get_row (int i)
Return a row or column of this. SCVector * get_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 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 gen_invert_this ()
void schmidt_orthog (SymmSCMatrix *, int)
Schmidt orthogonalize this. int schmidt_orthog_tol (SymmSCMatrix *, double tol, double *res=0)
Schmidt orthogonalize this. 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
RefSCDimension rowdim () const
RefSCDimension coldim () const
RefSCDimension rowdim (int) const
RefSCDimension coldim (int) const
int nblocks () const
RefSCMatrix block (int)
Ref< SCMatrixSubblockIter > local_blocks (SCMatrixSubblockIter::Access)
Returns iterators for the local (rapidly accessible) blocks used in this matrix. Ref< SCMatrixSubblockIter > all_blocks (SCMatrixSubblockIter::Access)
Returns iterators for the all blocks used in this matrix.


class BlockedSymmSCMatrix
class BlockedDiagSCMatrix
class BlockedSCVector

Implements sc::SCMatrix.

Sum m into this.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Sum into this the products of various vectors or matrices.

Implements sc::SCMatrix.

Reimplemented from sc::SCMatrix.

Implements sc::SCMatrix.

Reimplemented from sc::SCMatrix.

Sum v to a row or column of this.

Implements sc::SCMatrix.

Sum m into a subblock of this.

Implements sc::SCMatrix.

Returns iterators for the all blocks used in this matrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Assign v to a row or column of this.

Implements sc::SCMatrix.

Assign m to a subblock of this.

Implements sc::SCMatrix.

Overridden to implement to assign members.

Reimplemented from sc::SCMatrix.

Return the determinant of this. this is overwritten.

Implements sc::SCMatrix.

Perform the element operation op on each element of this.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Reimplemented from sc::SCMatrix.

Implements sc::SCMatrix.

Return or modify an element.

Implements sc::SCMatrix.

Return a row or column of this.

Implements sc::SCMatrix.

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.

Invert this.

Implements sc::SCMatrix.

Returns iterators for the local (rapidly accessible) blocks used in this matrix.

Implements sc::SCMatrix.

Reimplemented from sc::SCMatrix.

Save and restore this in an implementation independent way.

Reimplemented from sc::SCMatrix.

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

Implements sc::SCMatrix.

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

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

Compute the singular value decomposition for this, possibly destroying this.

Reimplemented from sc::SCMatrix.

Return the trace.

Implements sc::SCMatrix.

Transpose this.

Implements sc::SCMatrix.

Implements sc::SCMatrix.

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Tue Jun 7 2022 Version 2.3.1
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