parallel_arrays_gbl Module Reference

This module implements the p2d_array_obj which is used throughout the code to store and manipulate the calculated integrals. More...

Data Types
type	p2d_array_obj
	This is an array object which is used to store the atomic and molecular integrals in memory. The primary data structure is the 2D array thisa(1:thisd1,1:thisd2). The object may use the auxiliary integer array thisblock_offset(1:thisno_blocks) as in the case of computation of the atomic integrals in the MPI regime. The use of the block_offset array is controled by the initialization routine init. Each column of thisa has a name which is contained in thiscolumn_descriptor(1:thisd2). The intention is that the different types of integrals (e.g. overlap, kinetic energy, etc.) are kept in different columns of the array thisa. More...

Functions/Subroutines
logical function	have_offsets (this)

Detailed Description

This module implements the p2d_array_obj which is used throughout the code to store and manipulate the calculated integrals.

Function/Subroutine Documentation

have_offsets()

logical function parallel_arrays_gbl::have_offsets

(

class(p2d_array_obj)

this

)

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