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sc::R12IntsAcc_MPIIOFile(3)	      MPQC	     sc::R12IntsAcc_MPIIOFile(3)

NAME
     sc::R12IntsAcc_MPIIOFile

SYNOPSIS
     Inherits sc::R12IntsAcc.

     Inherited by sc::R12IntsAcc_MPIIOFile_Ind.

   Classes
     struct PairBlkInfo

   Public Member Functions
     R12IntsAcc_MPIIOFile  (Ref<  MemoryGrp  >	&mem,  const char *filename, int
	 num_te_types, int ni, int nj, int nx, int ny)
     R12IntsAcc_MPIIOFile (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_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 as-
	 sociated MemoryGrp and activate the accumulator.
     void activate ()
	 Call when ready to read content.
     void deactivate ()
	 Done reading content - activate the associated MemoryGrp This is a col-
	 lective operation.
     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 everywhere.
     bool has_access (int proc) const
	 Does this task have access to all the integrals?
     bool can_restart () const
	 Can restart MPI-IO-based accumulator.
     int ij_index (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 &)
     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.
     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 store_memorygrp (Ref< MemoryGrp > &mem, int ni,  const  size_t
	 blksize=0)=0
	 Stores  all  pair  block  of  integrals held in mem in a layout assumed
	 throughout MBPT2_R12.
     virtual void store_pair_block (int i, int j, double *ints)=0
	 All member functions of this class and its children  indices  i  and  j
	 don't include frozen orbitals Stores an ij pair block of integrals (as-
	 sumes the block resides locally)
     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.
     virtual void deactivate ()
	 Call when done reading content.
     const bool is_active ()
	 Check if can read content.
     virtual double * retrieve_pair_block (int i, int j, tbint_type oper_type)=0
	 Retrieves an ij pair block of integrals.
     virtual void release_pair_block (int i, int j, tbint_type oper_type)=0
	 Releases an ij pair block of integrals (if needed)
     virtual bool is_local (int i, int j) const =0
	 Is this block stored locally?
     virtual bool is_avail (int i, int j) const =0
	 Is this block available to this task?
     virtual bool has_access (int proc) const =0
	 Does this task have access to all the integrals?
     int tasks_with_access (vector< int > &twa_map) const
	 Returns the total number of tasks with access to integrals.
     virtual bool can_restart () const =0
	 Can this specialization be used in restarts?

     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.
     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.
     virtual void save_vbase_state (StateOut &)
	 Save the virtual bases for the object.
     virtual 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.

     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.
     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.
     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.

   Protected Member Functions
     void check_error_code_ (int errcod) const
	 Utility function to check MPI I/O error codes.
     void init (bool restart)
     int ntasks () const
	 total number of tasks
     int taskid () const
	 ID of this task.

     Protected Member Functions inherited from sc::R12IntsAcc
     virtual int ntasks () const =0
	 total number of tasks
     virtual int taskid () const =0
	 ID of this task.
     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.

     Protected Member Functions inherited from sc::RefCount
     RefCount (const RefCount &)
     RefCount & operator= (const RefCount &)

   Protected Attributes
     Ref< MemoryGrp > mem_
     int nproc_
     size_t nints_per_block_
     char * filename_
     MPI_File datafile_
     struct sc::R12IntsAcc_MPIIOFile::PairBlkInfo * pairblk_

     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_

   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.
     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 *object-
	 name, const char *keyword=0)

     Static Public Attributes inherited from sc::R12IntsAcc
     static const int max_num_te_types_ = 4

Member Function Documentation
   void sc::R12IntsAcc_MPIIOFile::activate () [virtual]
     Call when ready to read content.

     Reimplemented from sc::R12IntsAcc.

   bool sc::R12IntsAcc_MPIIOFile::can_restart () const [inline],  [virtual]
     Can restart MPI-IO-based accumulator.

     Implements sc::R12IntsAcc.

   void sc::R12IntsAcc_MPIIOFile::commit () [virtual]
     Commit the content of the accumulator for reading - deactivate the  associ-
     ated  MemoryGrp  and  activate the accumulator. This is a collective opera-
     tion.

     Reimplemented from sc::R12IntsAcc.

   void sc::R12IntsAcc_MPIIOFile::deactivate () [virtual]
     Done reading content - activate the associated MemoryGrp This is a  collec-
     tive operation.

     Reimplemented from sc::R12IntsAcc.

   bool  sc::R12IntsAcc_MPIIOFile::has_access  (int proc) const [inline],  [vir-
     tual]
     Does this task have access to all the integrals?

     Implements sc::R12IntsAcc.

   bool sc::R12IntsAcc_MPIIOFile::is_avail (int i, int j) const [inline],  [vir-
     tual]
     In this implementation blocks are available everywhere.

     Implements sc::R12IntsAcc.

   bool sc::R12IntsAcc_MPIIOFile::is_local (int i, int j) const [inline],  [vir-
     tual]
     Is this block stored locally?

     Implements sc::R12IntsAcc.

   int sc::R12IntsAcc_MPIIOFile::ntasks () const [inline],  [protected],   [vir-
     tual]
     total number of tasks

     Implements sc::R12IntsAcc.

   void  sc::R12IntsAcc_MPIIOFile::release_pair_block  (int i, int j, tbint_type
     oper_type) [virtual]
     Releases an ij pair block of integrals.

     Implements sc::R12IntsAcc.

   void sc::R12IntsAcc_MPIIOFile::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.

     Reimplemented in sc::R12IntsAcc_MPIIOFile_Ind.

   void sc::R12IntsAcc_MPIIOFile::store_pair_block (int i, int j, double * ints)
     [virtual]
     Stores an ij pair block of integrals to the file.

     Implements sc::R12IntsAcc.

   int sc::R12IntsAcc_MPIIOFile::taskid () const [inline],  [protected],   [vir-
     tual]
     ID of this task.

     Implements sc::R12IntsAcc.

Author
     Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1			 Thu Sep 3 2026      sc::R12IntsAcc_MPIIOFile(3)
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