states_elec_group_oct_m::states_elec_group_t Type Reference

Group of electronic states. More...

Detailed Description

Group of electronic states.

This class represents a group of batches of wave functions. It contains groups of blocks (batches) electronic states, represented by wfs_elec_oct_m::wfs_elec_t, together with the meta-data how these blocks are organized.

Each block contains wave functions with the same k point. The blocks can be distributed over nodes, when using state parallelization.

Definition at line 144 of file states_elec_group.F90.

Private Attributes
type(wfs_elec_t), dimension(:, :), allocatable	psib
	An array of wave-functions blocks (batches) More...
integer	nblocks
	The total number of blocks (across nodes) More...
integer	block_start
	The lowest index of local blocks. More...
integer	block_end
	The highest index of local blocks. More...
integer, dimension(:), allocatable	iblock
	A map, that for each state index returns the index of block containing it. More...
integer, dimension(:, :), allocatable	block_range
	Each block contains states from block_range(:, 1) to block_range(:, 2) More...
integer, dimension(:), allocatable	block_size
	The number of states in each block. More...
logical, dimension(:, :), allocatable	block_is_local
	It is true if the block (ist, ik) is in this node. More...
integer, dimension(:), allocatable	block_node
	The node that contains each block. More...
type(mpi_win), dimension(:, :), allocatable	rma_win
	The MPI window handle for for block (ist, ik) for one sided communication. More...
logical	block_initialized = .false.
	For keeping track of the blocks to avoid memory leaks. More...

Member Data Documentation

psib

type(wfs_elec_t), dimension(:, :), allocatable states_elec_group_oct_m::states_elec_group_t::psib

private

An array of wave-functions blocks (batches)

Definition at line 146 of file states_elec_group.F90.

nblocks

integer states_elec_group_oct_m::states_elec_group_t::nblocks

private

The total number of blocks (across nodes)

Definition at line 147 of file states_elec_group.F90.

block_start

integer states_elec_group_oct_m::states_elec_group_t::block_start

private

The lowest index of local blocks.

Definition at line 148 of file states_elec_group.F90.

block_end

integer states_elec_group_oct_m::states_elec_group_t::block_end

private

The highest index of local blocks.

Definition at line 149 of file states_elec_group.F90.

iblock

integer, dimension(:), allocatable states_elec_group_oct_m::states_elec_group_t::iblock

private

A map, that for each state index returns the index of block containing it.

Definition at line 150 of file states_elec_group.F90.

block_range

integer, dimension(:, :), allocatable states_elec_group_oct_m::states_elec_group_t::block_range

private

Each block contains states from block_range(:, 1) to block_range(:, 2)

Definition at line 151 of file states_elec_group.F90.

block_size

integer, dimension(:), allocatable states_elec_group_oct_m::states_elec_group_t::block_size

private

The number of states in each block.

Definition at line 152 of file states_elec_group.F90.

block_is_local

logical, dimension(:, :), allocatable states_elec_group_oct_m::states_elec_group_t::block_is_local

private

It is true if the block (ist, ik) is in this node.

Definition at line 153 of file states_elec_group.F90.

block_node

integer, dimension(:), allocatable states_elec_group_oct_m::states_elec_group_t::block_node

private

The node that contains each block.

Definition at line 154 of file states_elec_group.F90.

rma_win

type(mpi_win), dimension(:, :), allocatable states_elec_group_oct_m::states_elec_group_t::rma_win

private

The MPI window handle for for block (ist, ik) for one sided communication.

Definition at line 155 of file states_elec_group.F90.

block_initialized

logical states_elec_group_oct_m::states_elec_group_t::block_initialized = .false.

private

For keeping track of the blocks to avoid memory leaks.

Definition at line 157 of file states_elec_group.F90.

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The documentation for this type was generated from the following file:

• states/states_elec_group.F90