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sc::FockBuildMatrix Class Referenceabstract
Inheritance diagram for sc::FockBuildMatrix:
Public Member Functions | |
| 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 bool | symmetric () const =0 |
| virtual void | fix_diagonal_blocks () const =0 |
| virtual void | clear ()=0 |
| virtual void | scmat_to_data (const RefSymmSCMatrix &m, const Ref< GaussianBasisSet > &b, bool copy)=0 |
| virtual void | scmat_to_data (const RefSCMatrix &m, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, bool copy)=0 |
| virtual void | data_to_scmat () const =0 |
| virtual void | prefetch_block (int I, int J, int ifetch, int nfetch)=0 |
| virtual void | finish_prefetch_block ()=0 |
| virtual double * | shell_block (int Ish, int Jsh) const =0 |
| virtual double * | block (int Ish, int Jsh) const =0 |
| virtual FockBuildMatrix * | copy (int unique_id, bool copy_data=false) const =0 |
| virtual void | zero_data ()=0 |
| Zero out the data. | |
| virtual void | accum (const Ref< FockBuildMatrix > &fbm)=0 |
| Accumulate fbm into this. | |
| virtual void | accum_remote (const Ref< MessageGrp > &)=0 |
| Accumulate remote contributions. | |
| virtual void | print () const |
| The default print member does nothing. | |
| 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. | |
| 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. | |
Protected Attributes | |
| Ref< MessageGrp > | msg_ |
| int | nI_ |
| int | nJ_ |
| int | nproc_ |
| int | me_ |
| Ref< FockBlocks > | blocks1_ |
| Ref< FockBlocks > | blocks2_ |
Additional Inherited Members | |
| Protected Member Functions inherited from sc::RefCount | |
| RefCount (const RefCount &) | |
| RefCount & | operator= (const RefCount &) |
Member Function Documentation
◆ accum()
|
pure virtual |
Accumulate fbm into this.
Implemented in sc::DistFockBuildMatrix, and sc::ReplFockBuildMatrix.
◆ accum_remote()
|
pure virtual |
Accumulate remote contributions.
Implemented in sc::DistFockBuildMatrix, and sc::ReplFockBuildMatrix.
◆ flush()
|
virtual |
Flush the buffer cache (if it exists).
Reimplemented in sc::DistFockBuildMatrix.
◆ print()
|
virtual |
The default print member does nothing.
Reimplemented in sc::ReplFockBuildMatrix.
◆ zero_data()
|
pure virtual |
Zero out the data.
Implemented in sc::DistFockBuildMatrix, and sc::ReplFockBuildMatrix.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/lcao/fockbuild.h