qs_tensors_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_tensors_types
	Utility methods to build 3-center integral tensors of various types.

Functions/Subroutines
subroutine, public	qs_tensors_types::distribution_3d_create (dist_3d, dist1, dist2, dist3, nkind, particle_set, mp_comm_3d, own_comm)
	Create a 3d distribution. More...
subroutine, public	qs_tensors_types::distribution_3d_destroy (dist)
	Destroy a 3d distribution. More...
subroutine, public	qs_tensors_types::distribution_2d_create (dist_2d, dist1, dist2, nkind, particle_set, mp_comm_2d, blacs_env_ext)
	Create a 2d distribution. This mainly wraps distribution_2d_create for consistency with distribution_3d_create. More...
subroutine, public	qs_tensors_types::contiguous_tensor_dist (nel, nbin, weights, limits_start, limits_end, dist)
	contiguous distribution of weighted elements More...
subroutine, public	qs_tensors_types::create_3c_tensor (t3c, dist_1, dist_2, dist_3, pgrid, sizes_1, sizes_2, sizes_3, map1, map2, name)
	... More...
subroutine, public	qs_tensors_types::create_2c_tensor (t2c, dist_1, dist_2, pgrid, sizes_1, sizes_2, order, name)
	... More...
subroutine, public	qs_tensors_types::split_block_sizes (blk_sizes, blk_sizes_split, max_size)
	... More...
subroutine, public	qs_tensors_types::pgf_block_sizes (atomic_kind_set, basis, min_blk_size, pgf_blk_sizes)
	... More...
subroutine, public	qs_tensors_types::create_tensor_batches (sizes, nbatches, starts_array, ends_array, starts_array_block, ends_array_block)
	... More...

Variables
integer, parameter, public	qs_tensors_types::symmetric_none = 0
integer, parameter, public	qs_tensors_types::symmetric_ij = 1
integer, parameter, public	qs_tensors_types::symmetric_jk = 2
integer, parameter, public	qs_tensors_types::symmetrik_ik = 3
integer, parameter, public	qs_tensors_types::symmetric_ijk = 4
integer, parameter, public	qs_tensors_types::default_block_size = 64