Searched refs:matrix_M_diag (Results 1 – 2 of 2) sorted by relevance
683 SUBROUTINE pao_calc_outer_grad_lnv(qs_env, ls_scf_env, matrix_M_diag) argument686 TYPE(dbcsr_type) :: matrix_M_diag local871 CALL dbcsr_create(matrix_M_diag, &876 CALL dbcsr_reserve_diag_blocks(matrix_M_diag)877 CALL dbcsr_complete_redistribute(matrix_M, matrix_M_diag)