MPQC
2.3.1
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Classes | |
struct | PairBlkInfo |
Public Member Functions | |
R12IntsAcc_Node0File (Ref< MemoryGrp > &mem, const char *filename, int num_te_types, int ni, int nj, int nx, int ny) | |
R12IntsAcc_Node0File (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=0) |
Stores all pair block of integrals held in mem. | |
void | store_pair_block (int i, int j, double *ints) |
Stores an ij pair block of integrals to the file. | |
void | commit () |
Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator. | |
void | activate () |
Call when ready to start reading content. | |
void | deactivate () |
Done reading content - activate 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 from the file. | |
void | release_pair_block (int i, int j, tbint_type oper_type) |
Releases an ij pair block of integrals. | |
bool | is_local (int i, int j) const |
Is this block stored locally? | |
bool | is_avail (int i, int j) const |
In this implementation blocks are available only on node 0. | |
bool | has_access (int proc) const |
Does this task have access to all the integrals? | |
bool | can_restart () const |
Can restart Node0File-based accumulator. | |
int | ij_index (int i, int j) const |
int | ij_proc (int i, int j) const |
void sc::R12IntsAcc_Node0File::commit | ( | ) | [virtual] |
Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator.
This is a collective operation.
Reimplemented from sc::R12IntsAcc.
void sc::R12IntsAcc_Node0File::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_Node0File::store_memorygrp | ( | Ref< MemoryGrp > & | mem, |
int | ni, | ||
const size_t | blksize = 0 |
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) | [virtual] |
Stores all pair block of integrals held in mem.
By default blocks are appended to the end of the same file, i.e. they are assumed to have come from consecutive passes of the same transformation. This is a collective operation. See documentation for R12IntsAcc::store_memorygrp() for more info.
Implements sc::R12IntsAcc.