MPQC 3.0.0-alpha
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sc::DistFockBuildMatrix Class Reference
Inheritance diagram for sc::DistFockBuildMatrix:
sc::FockBuildMatrix sc::RefCount

Public Member Functions

 DistFockBuildMatrix (bool prefetch_blocks, const Ref< FockBuildOp > &fockbuildop)
 
 DistFockBuildMatrix (const DistFockBuildMatrix &, int unique_id, bool copy_data=false)
 
bool symmetric () const
 
void fix_diagonal_blocks () const
 
void clear ()
 
void scmat_to_data (const RefSymmSCMatrix &m, const Ref< GaussianBasisSet > &b, bool copy)
 
void scmat_to_data (const RefSCMatrix &m, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, bool copy)
 
void data_to_scmat () const
 
void prefetch_block (int I, int J, int ifetch, int nfetch)
 
void finish_prefetch_block ()
 
double * shell_block (int Ish, int Jsh) const
 
double * block (int Ish, int Jsh) const
 
FockBuildMatrixcopy (int unique_id, bool copy_data=false) const
 
void zero_data ()
 Zero out the data.
 
void accum (const Ref< FockBuildMatrix > &fbm)
 Accumulate fbm into this.
 
void accum_remote (const Ref< MessageGrp > &)
 Accumulate remote contributions.
 
void flush ()
 Flush the buffer cache (if it exists).
 
- Public Member Functions inherited from sc::FockBuildMatrix
 FockBuildMatrix (const FockBuildMatrix &)
 
 FockBuildMatrix (const Ref< MessageGrp > &msg)
 
const Ref< MessageGrp > & messagegrp () const
 
int block_offset (int I, int J) const
 
int n_block () const
 
int block_owning_proc (int I, int J) const
 
bool block_is_owner (int I, int J) const
 
int shell_block_offset (int I, int J) const
 
int n_shell_block () const
 
int shell_block_owning_proc (int I, int J) const
 
bool shell_block_is_owner (int I, int J) const
 
virtual void print () const
 The default print member does nothing.
 
virtual void set_fockblocks (const Ref< FockBlocks > &b1, const Ref< FockBlocks > &b2)
 
const Ref< FockBlocks > & blocks1 ()
 
const Ref< FockBlocks > & blocks2 ()
 
- 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.
 
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
 Return 1 if the object is managed. Otherwise return 0.
 

Additional Inherited Members

- Protected Member Functions inherited from sc::RefCount
 RefCount (const RefCount &)
 
RefCountoperator= (const RefCount &)
 
- Protected Attributes inherited from sc::FockBuildMatrix
Ref< MessageGrpmsg_
 
int nI_
 
int nJ_
 
int nproc_
 
int me_
 
Ref< FockBlocksblocks1_
 
Ref< FockBlocksblocks2_
 

Member Function Documentation

◆ accum()

void sc::DistFockBuildMatrix::accum ( const Ref< FockBuildMatrix > & fbm)
virtual

Accumulate fbm into this.

Implements sc::FockBuildMatrix.

◆ accum_remote()

void sc::DistFockBuildMatrix::accum_remote ( const Ref< MessageGrp > & )
virtual

Accumulate remote contributions.

Implements sc::FockBuildMatrix.

◆ block()

double * sc::DistFockBuildMatrix::block ( int Ish,
int Jsh ) const
virtual

Implements sc::FockBuildMatrix.

◆ clear()

void sc::DistFockBuildMatrix::clear ( )
virtual

Implements sc::FockBuildMatrix.

◆ copy()

FockBuildMatrix * sc::DistFockBuildMatrix::copy ( int unique_id,
bool copy_data = false ) const
virtual

Implements sc::FockBuildMatrix.

◆ data_to_scmat()

void sc::DistFockBuildMatrix::data_to_scmat ( ) const
virtual

Implements sc::FockBuildMatrix.

◆ finish_prefetch_block()

void sc::DistFockBuildMatrix::finish_prefetch_block ( )
virtual

Implements sc::FockBuildMatrix.

◆ fix_diagonal_blocks()

void sc::DistFockBuildMatrix::fix_diagonal_blocks ( ) const
virtual

Implements sc::FockBuildMatrix.

◆ flush()

void sc::DistFockBuildMatrix::flush ( )
virtual

Flush the buffer cache (if it exists).

Reimplemented from sc::FockBuildMatrix.

◆ prefetch_block()

void sc::DistFockBuildMatrix::prefetch_block ( int I,
int J,
int ifetch,
int nfetch )
virtual

Implements sc::FockBuildMatrix.

◆ scmat_to_data() [1/2]

void sc::DistFockBuildMatrix::scmat_to_data ( const RefSCMatrix & m,
const Ref< GaussianBasisSet > & b1,
const Ref< GaussianBasisSet > & b2,
bool copy )
virtual

Implements sc::FockBuildMatrix.

◆ scmat_to_data() [2/2]

void sc::DistFockBuildMatrix::scmat_to_data ( const RefSymmSCMatrix & m,
const Ref< GaussianBasisSet > & b,
bool copy )
virtual

Implements sc::FockBuildMatrix.

◆ shell_block()

double * sc::DistFockBuildMatrix::shell_block ( int Ish,
int Jsh ) const
virtual

Implements sc::FockBuildMatrix.

◆ symmetric()

bool sc::DistFockBuildMatrix::symmetric ( ) const
virtual

Implements sc::FockBuildMatrix.

◆ zero_data()

void sc::DistFockBuildMatrix::zero_data ( )
virtual

Zero out the data.

Implements sc::FockBuildMatrix.


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

Generated at Wed Sep 25 2024 02:45:32 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.