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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 associated 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 collective 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 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 Attributes Ref< MemoryGrp > mem_ int nproc_ size_t nints_per_block_ char * filename_ MPI_File datafile_ struct sc::R12IntsAcc_MPIIOFile::PairBlkInfo * pairblk_ Additional Inherited Members Member Function Documentation void sc::R12IntsAcc_MPIIOFile::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_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. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::R12IntsAcc_MPIIOFile(3)

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