| sc::LocalSCMatrix(3) | MPQC | sc::LocalSCMatrix(3) |
sc::LocalSCMatrix
Inherits sc::SCMatrix.
LocalSCMatrix (const RefSCDimension &, const
RefSCDimension &, LocalSCMatrixKit *)
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 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
double * get_data ()
double ** get_rows ()
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 LocalSymmSCMatrix
class LocalDiagSCMatrix
class LocalSCVector
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.
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.
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.
Generated automatically by Doxygen for MPQC from the source code.
| Fri Dec 2 2022 | Version 2.3.1 |