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Searched refs:hfx_do_eval_forces (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_load_balance_methods.F230 CASE (hfx_do_eval_forces)
440 CASE (hfx_do_eval_forces)
459 CASE (hfx_do_eval_forces)
833 CASE (hfx_do_eval_forces)
1320 CASE (hfx_do_eval_forces)
1531 CASE (hfx_do_eval_forces)
1547 CASE (hfx_do_eval_forces)
1568 CASE (hfx_do_eval_forces)
1732 CASE (hfx_do_eval_forces)
2367 CASE (hfx_do_eval_forces)
[all …]
H A Dhfx_types.F41 do_potential_short, do_potential_truncated, hfx_do_eval_energy, hfx_do_eval_forces
798 CALL alloc_containers(actual_x_data, 1, hfx_do_eval_forces)
1192 CALL dealloc_containers(actual_x_data, hfx_do_eval_forces)
1972 CASE (hfx_do_eval_forces)
2042 CASE (hfx_do_eval_forces)
H A Dhfx_derivatives.F58 hfx_do_eval_forces
577 nkind, hfx_do_eval_forces, shm_pmax_block, use_virial)
582 i_thread, n_threads, hfx_do_eval_forces)
743 CALL dealloc_containers(actual_x_data, hfx_do_eval_forces)
744 CALL alloc_containers(actual_x_data, my_bin_size, hfx_do_eval_forces)
1515 hfx_do_eval_forces)
H A Dinput_constants.F763 hfx_do_eval_forces = 2 variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_load_balance_methods.F227 CASE (hfx_do_eval_forces)
437 CASE (hfx_do_eval_forces)
456 CASE (hfx_do_eval_forces)
830 CASE (hfx_do_eval_forces)
1317 CASE (hfx_do_eval_forces)
1528 CASE (hfx_do_eval_forces)
1544 CASE (hfx_do_eval_forces)
1565 CASE (hfx_do_eval_forces)
1729 CASE (hfx_do_eval_forces)
2357 CASE (hfx_do_eval_forces)
[all …]
H A Dhfx_derivatives.F58 hfx_do_eval_forces
583 nkind, hfx_do_eval_forces, shm_pmax_block, use_virial)
588 i_thread, n_threads, hfx_do_eval_forces)
749 CALL dealloc_containers(actual_x_data, hfx_do_eval_forces)
750 CALL alloc_containers(actual_x_data, my_bin_size, hfx_do_eval_forces)
1529 hfx_do_eval_forces)
H A Dhfx_types.F50 do_potential_short, do_potential_truncated, hfx_do_eval_energy, hfx_do_eval_forces, &
932 CALL alloc_containers(actual_x_data, 1, hfx_do_eval_forces)
1859 CALL dealloc_containers(actual_x_data, hfx_do_eval_forces)
2792 CASE (hfx_do_eval_forces)
2862 CASE (hfx_do_eval_forces)
H A Dinput_constants.F766 hfx_do_eval_forces = 2 variable