MPQC 2.3.1
|
Classes | |
struct | PairBlkInfo |
Public Member Functions | |
R12IntsAcc_MemoryGrp (Ref< MemoryGrp > &, int num_te_types, int ni, int nj, int nx, int ny) | |
R12IntsAcc_MemoryGrp (StateIn &) | |
void | save_data_state (StateOut &) |
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. | |
void | store_memorygrp (Ref< MemoryGrp > &mem, int ni, const size_t blksize) |
Stores all pair block of integrals held in mem mem must be the same as mem_ used to construct this This is a collective operation. | |
void | store_pair_block (int i, int j, double *ints) |
Stores an ij pair block of integrals (assumes the block resides locally) | |
void | deactivate () |
Done reading content - call set_localsize(0) on the associated MemoryGrp This is a collective operation. | |
double * | retrieve_pair_block (int i, int j, tbint_type oper_type) |
Retrieves an ij pair block of integrals. | |
void | release_pair_block (int i, int j, tbint_type oper_type) |
Releases an ij pair block of integrals (if needed) | |
bool | is_local (int i, int j) const |
Is this block stored locally? | |
bool | is_avail (int i, int j) const |
In this implementation all blocks are globally available. | |
bool | has_access (int proc) const |
Does this task have access to all the integrals? | |
bool | can_restart () const |
Cannot restart MemoryGrp-based accumulator. | |
int | ij_index (int i, int j) const |
int | ij_proc (int i, int j) const |
void sc::R12IntsAcc_MemoryGrp::deactivate | ( | ) | [virtual] |
Done reading content - call set_localsize(0) on the associated MemoryGrp This is a collective operation.
This accumulator cannot be activated again.
Reimplemented from sc::R12IntsAcc.
void sc::R12IntsAcc_MemoryGrp::save_data_state | ( | StateOut & | ) | [virtual] |
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
This must be implemented by the derived class if the class has data.
Reimplemented from sc::R12IntsAcc.
void sc::R12IntsAcc_MemoryGrp::store_memorygrp | ( | Ref< MemoryGrp > & | mem, |
int | ni, | ||
const size_t | blksize | ||
) | [virtual] |
Stores all pair block of integrals held in mem mem must be the same as mem_ used to construct this This is a collective operation.
See documentation for R12IntsAcc::store_memorygrp() for more info.
Implements sc::R12IntsAcc.