sc::R12IntsAcc_MemoryGrp Class Reference
R12IntsAcc_MemoryGrp handles transformed integrals held in memory by MemoryGrp. More...
#include <chemistry/qc/mbptr12/r12ia_memgrp.h>
Inheritance diagram for sc::R12IntsAcc_MemoryGrp:
Public Member Functions | |
| R12IntsAcc_MemoryGrp (const Ref< MemoryGrp > &, int num_te_types, int ni, int nj, int nx, int ny, size_t memorygrp_blksize) | |
| 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 | deactivate () |
| call this after operations on this object are finished. May destroy data (see data_persistent()). | |
| bool | data_persistent () const |
| implementation of R12IntsAcc::data_persistent() | |
| void | store_pair_block (int i, int j, tbint_type oper_type, const double *ints) |
| Stores an ij pair block of integrals (assumes the block resides locally). | |
| const double * | retrieve_pair_block (int i, int j, tbint_type oper_type) const |
| Retrieves an ij pair block of integrals. | |
| void | release_pair_block (int i, int j, tbint_type oper_type) const |
| 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? | |
Classes | |
| struct | PairBlkInfo |
| Holds the information and data for ij-blocks. | |
Detailed Description
R12IntsAcc_MemoryGrp handles transformed integrals held in memory by MemoryGrp.The ordering of integrals in MemoryGrp buffers is not specified to avoid having to reorder integrals Each pair block has size of num_te_types*nbasis1*nbasis2
Member Function Documentation
| 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.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/mbptr12/r12ia_memgrp.h