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sc::ReplSCMatrix

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                              sc::ReplSCMatrix(3)

Member Function Documentation

SCMatrix*sc::ReplSCMatrix::get_subblock(intbr,inter,intbc,intec)[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.

   voidsc::ReplSCMatrix::schmidt_orthog(SymmSCMatrix*,intn)[virtual]
       Schmidt orthogonalize this. S is the overlap matrix. n is the number of columns to orthogonalize.

       Implements sc::SCMatrix.

   intsc::ReplSCMatrix::schmidt_orthog_tol(SymmSCMatrix*,doubletol,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.

Name

       sc::ReplSCMatrix

Synopsis

       Inherits sc::SCMatrix.

   PublicMemberFunctionsReplSCMatrix (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)
       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.
       Ref< ReplSCMatrixKit > skit ()

   ProtectedMemberFunctions
       int compute_offset (int, int) const
       void init_blocklist ()
       void before_elemop ()
       void after_elemop ()

   ProtectedAttributesRef< SCMatrixBlockList > blocklist
       double * matrix
       double ** rowsFriends
       class ReplSymmSCMatrix
       class ReplDiagSCMatrix
       class ReplSCVectorAdditionalInheritedMembers

See Also