MPQC
2.3.1
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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. More... | |
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. More... | |
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. More... | |
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 |
Public Member Functions inherited from sc::R12IntsAcc | |
R12IntsAcc (int num_te_types, int ni, int nj, int nx, int ny) | |
R12IntsAcc (StateIn &) | |
int | num_te_types () const |
The number of types of integrals that are being handled together. | |
int | ni () const |
Rank of index space i. | |
int | nj () const |
Rank of index space j. | |
int | nx () const |
Rank of index space x. | |
int | ny () const |
Rank of index space y. | |
size_t | blocksize () const |
Size of each block of the integrals of one type, in double words. | |
int | next_orbital () const |
The index of the first orbital in the next integrals batch to be stored. | |
virtual void | commit () |
Commit the content of the accumulator for reading. | |
bool | is_committed () |
Has the content of the accumulator been commited for reading? | |
virtual void | activate () |
Call before starting to read content. | |
const bool | is_active () |
Check if can read content. | |
int | tasks_with_access (vector< int > &twa_map) const |
Returns the total number of tasks with access to integrals. More... | |
Public Member Functions inherited from sc::SavableState | |
SavableState & | operator= (const SavableState &) |
void | save_state (StateOut &) |
Save the state of the object as specified by the StateOut object. More... | |
void | save_object_state (StateOut &) |
This can be used for saving state when the exact type of the object is known for both the save and the restore. More... | |
virtual void | save_vbase_state (StateOut &) |
Save the virtual bases for the object. More... | |
Public Member Functions inherited from sc::DescribedClass | |
DescribedClass (const DescribedClass &) | |
DescribedClass & | operator= (const DescribedClass &) |
ClassDesc * | class_desc () const throw () |
This returns the unique pointer to the ClassDesc corresponding to the given type_info object. More... | |
const char * | class_name () const |
Return the name of the object's exact type. | |
int | class_version () const |
Return the version of the class. | |
virtual void | print (std::ostream &=ExEnv::out0()) const |
Print the object. | |
Public Member Functions inherited from sc::RefCount | |
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... | |
int | managed () const |
Return 1 if the object is managed. Otherwise return 0. | |
Public Member Functions inherited from sc::Identity | |
Identifier | identifier () |
Return the Identifier for this argument. More... | |
Additional Inherited Members | |
Public Types inherited from sc::R12IntsAcc | |
enum | tbint_type { eri =0, r12 =1, r12t1 =2, r12t2 =3 } |
Types of two-body operators that R12IntsAcc understands. | |
Static Public Member Functions inherited from sc::SavableState | |
static void | save_state (SavableState *s, StateOut &) |
static SavableState * | restore_state (StateIn &si) |
Restores objects saved with save_state. More... | |
static SavableState * | key_restore_state (StateIn &si, const char *keyword) |
Like restore_state, but keyword is used to override values while restoring. | |
static SavableState * | dir_restore_state (StateIn &si, const char *objectname, const char *keyword=0) |
Static Public Attributes inherited from sc::R12IntsAcc | |
static const int | max_num_te_types_ = 4 |
Protected Member Functions inherited from sc::R12IntsAcc | |
void | inc_next_orbital (int ni) |
The index of the first orbital in the next integrals batch to be stored. | |
Protected Member Functions inherited from sc::SavableState | |
SavableState (const SavableState &) | |
SavableState (StateIn &) | |
Each derived class StateIn CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above. More... | |
Protected Member Functions inherited from sc::RefCount | |
RefCount (const RefCount &) | |
RefCount & | operator= (const RefCount &) |
Protected Attributes inherited from sc::R12IntsAcc | |
int | ni_ |
int | nj_ |
int | nx_ |
int | ny_ |
size_t | nxy_ |
size_t | blksize_ |
size_t | blocksize_ |
int | next_orbital_ |
bool | committed_ |
bool | active_ |
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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.
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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.
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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.