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| subroutine, public | task_list_methods::generate_qs_task_list (ks_env, task_list, reorder_rs_grid_ranks, skip_load_balance_distributed, soft_valid, basis_type, pw_env_external, sab_orb_external) |
| | ... More...
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| subroutine, public | task_list_methods::task_list_inner_loop (tasks, ntasks, curr_tasks, rs_descs, dft_control, cube_info, gridlevel_info, cindex, iatom, jatom, rpgfa, rpgfb, zeta, zetb, kind_radius_b, set_radius_a, set_radius_b, ra, rab, la_max, la_min, lb_max, lb_min, npgfa, npgfb, nseta, nsetb) |
| | ... More...
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| subroutine, public | task_list_methods::distribute_tasks (rs_descs, ntasks, natoms, tasks, atom_pair_send, atom_pair_recv, symmetric, reorder_rs_grid_ranks, skip_load_balance_distributed) |
| | Assembles tasks to be performed on local grid. More...
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| subroutine, public | task_list_methods::rs_distribute_matrix (rs_descs, pmats, atom_pair_send, atom_pair_recv, nimages, scatter, hmats) |
| | redistributes the matrix so that it can be used in realspace operations i.e. according to the task lists for collocate and integrate. This routine can become a bottleneck in large calculations. More...
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| subroutine, public | task_list_methods::rs_scatter_matrices (src_matrices, dest_buffer, task_list, group) |
| | Scatters dbcsr matrix blocks and receives them into a buffer as needed before collocation. More...
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| subroutine, public | task_list_methods::rs_gather_matrices (src_buffer, dest_matrices, task_list, group) |
| | Gather the dbcsr matrix blocks and receives them into a buffer as needed after integration. More...
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| subroutine, public | task_list_methods::rs_copy_to_buffer (src_matrices, dest_buffer, task_list) |
| | Copies the DBCSR blocks into buffer, replaces rs_scatter_matrix for non-distributed grids. More...
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| subroutine, public | task_list_methods::rs_copy_to_matrices (src_buffer, dest_matrices, task_list) |
| | Copies from buffer into DBCSR matrics, replaces rs_gather_matrix for non-distributed grids. More...
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1.9.1