sc::DistFockBuildMatrix Class Reference
Inheritance diagram for sc::DistFockBuildMatrix:
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 |
| FockBuildMatrix * | copy (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. 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 &) | |
| RefCount & | operator= (const RefCount &) |
| Protected Attributes inherited from sc::FockBuildMatrix | |
| Ref< MessageGrp > | msg_ |
| int | nI_ |
| int | nJ_ |
| int | nproc_ |
| int | me_ |
| Ref< FockBlocks > | blocks1_ |
| Ref< FockBlocks > | blocks2_ |
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/lcao/fockbuild.h