28#ifndef _chemistry_qc_mbptr12_r12ia_node0file_h
29#define _chemistry_qc_mbptr12_r12ia_node0file_h
36#include <util/ref/ref.h>
37#include <util/group/memory.h>
38#include <chemistry/qc/mbptr12/r12ia.h>
54class R12IntsAcc_Node0File:
public R12IntsAcc {
61 double* ints_[max_num_te_types_];
62 int refcount_[max_num_te_types_];
67 void init(
bool restart);
69 void check_filedescr_();
72 int ntasks()
const {
return mem_->n(); }
74 int taskid()
const {
return mem_->me(); }
80 ~R12IntsAcc_Node0File();
106 bool is_local(
int i,
int j)
const {
return (mem_->me() == 0);};
108 bool is_avail(
int i,
int j)
const {
return (mem_->me() == 0);};
115 int ij_index(
int i,
int j)
const {
return i*nj_ + j; };
116 int ij_proc(
int i,
int j)
const {
return 0;};
bool is_local(int i, int j) const
Is this block stored locally?
Definition r12ia_node0file.h:106
double * retrieve_pair_block(int i, int j, tbint_type oper_type)
Retrieves an ij pair block of integrals from the file.
bool can_restart() const
Can restart Node0File-based accumulator.
Definition r12ia_node0file.h:112
void release_pair_block(int i, int j, tbint_type oper_type)
Releases an ij pair block of integrals.
void commit()
Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate ...
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
void activate()
Call when ready to start reading content.
bool has_access(int proc) const
Does this task have access to all the integrals?
Definition r12ia_node0file.h:110
void store_pair_block(int i, int j, double *ints)
Stores an ij pair block of integrals to the file.
void store_memorygrp(Ref< MemoryGrp > &mem, int ni, const size_t blksize=0)
Stores all pair block of integrals held in mem.
void deactivate()
Done reading content - activate the associated MemoryGrp This is a collective operation.
bool is_avail(int i, int j) const
In this implementation blocks are available only on node 0.
Definition r12ia_node0file.h:108
tbint_type
Types of two-body operators that R12IntsAcc understands.
Definition r12ia.h:99
int ny() const
Rank of index space y.
Definition r12ia.h:111
virtual int ntasks() const =0
total number of tasks
int num_te_types() const
The number of types of integrals that are being handled together.
Definition r12ia.h:103
int nx() const
Rank of index space x.
Definition r12ia.h:109
int ni() const
Rank of index space i.
Definition r12ia.h:105
int nj() const
Rank of index space j.
Definition r12ia.h:107
virtual int taskid() const =0
ID of this task.
A template class that maintains references counts.
Definition ref.h:332
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61