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

Public Member Functions

 ReplFockBuildMatrix (const Ref< MessageGrp > &msg)
 
 ReplFockBuildMatrix (const ReplFockBuildMatrix &, 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.
 
virtual void print () const
 The default print member does nothing.
 
- 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 flush ()
 Flush the buffer cache (if it exists).
 
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. 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...
 

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_
 

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.