Provides a work partition for externally distributed calculations. More...

Data Types
type	tblite_partition::work_partition
	Cyclic partition of the work of an interaction loop. More...
type	tblite_partition::pair_list
	Row-wise neighbours of locally owned pairs, including both symmetric blocks. Reused across geometry and SCF updates; ownership depends only on atom count. More...
interface	tblite_partition::operator(==)

Modules
module	tblite_partition
	Work partitioning for externally distributed calculations.

Functions/Subroutines
pure integer function, dimension(2), public	tblite_partition::column_range (n, part, nparts)
	Contiguous column blocks, also representable by a one-row BLACS grid. Empty parts have first > last. This layout is independent of MPI.
subroutine, public	tblite_partition::new_work_partition (error, partition, part, nparts)
	Create a work partition.
elemental logical function, public	tblite_partition::owns_index (partition, idx)
	Whether this part owns a one-dimensional unit of work.
elemental logical function, public	tblite_partition::owns_pair (partition, iat, jat)
	Whether this part owns a symmetry-reduced atom pair.

Variables
type(work_partition), parameter, public	tblite_partition::serial_work_partition = work_partition()
	Complete work of an ordinary serial calculation.

Detailed Description

Provides a work partition for externally distributed calculations.

Data Types