(git:58e3e09)
qs_fb_atomic_matrix_methods.F File Reference

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Modules

module  qs_fb_atomic_matrix_methods
 

Functions/Subroutines

subroutine, public qs_fb_atomic_matrix_methods::fb_atmatrix_calc_size (dbcsr_mat, atomic_halo, nrows, ncols, blk_row_start, blk_col_start)
 Calculates the atomic matrix size from a given DBCSR matrix and atomic halo. It also calculates the first row (col) or the row (col) atomic blocks in the atomic matrix. More...
 
subroutine, public qs_fb_atomic_matrix_methods::fb_atmatrix_construct (dbcsr_mat, atomic_halo, para_env, atomic_matrix, blk_row_start, blk_col_start)
 Constructs atomic matrix for filter basis method from a given DBCSR matrix and a set of atomic send and recv pairs corresponding to the matrix blocks that needs to be included in the atomic matrix. This version is for when we do MPI communications at every step, for each atomic matrix. More...
 
subroutine, public qs_fb_atomic_matrix_methods::fb_atmatrix_construct_2 (matrix_storage, atomic_halo, atomic_matrix, blk_row_start, blk_col_start)
 Constructs atomic matrix for filter basis method from a given DBCSR matrix and a set of atomic send and recv pairs corresponding to the matrix blocks that needs to be included in the atomic matrix. This version is for when we do MPI communications collectively in one go at the beginning. More...
 
subroutine, public qs_fb_atomic_matrix_methods::fb_atmatrix_generate_com_pairs_2 (dbcsr_mat, atomic_halos, para_env, atom_pairs_send, atom_pairs_recv)
 generate list of blocks (atom pairs) of a DBCSR matrix to be sent and received in order to construct all local atomic matrices corresponding to the atomic halos. This version is for the case when we do MPI communications collectively in one go at the beginning. More...