| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_fb_atomic_halo_types.F | 148 atomic_halo%obj%ref_count = atomic_halo%obj%ref_count + 1
166 atomic_halo%obj%ref_count = atomic_halo%obj%ref_count - 1
180 NULLIFY (atomic_halo%obj)
198 NULLIFY (atomic_halo%obj)
247 ALLOCATE (atomic_halo%obj)
250 atomic_halo%obj%natoms = 0
253 atomic_halo%obj%cost = 0.0_dp
255 atomic_halo%obj%ref_count = 1
279 atomic_halo%obj%natoms = 0
282 atomic_halo%obj%cost = 0.0_dp
[all …]
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| H A D | qs_fb_atomic_matrix_methods.F | 65 atomic_halo, & argument
86 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
128 atomic_halo, & argument
169 atomic_halo, &
341 atomic_halo, & argument
364 check_ok = fb_atomic_halo_has_data(atomic_halo)
375 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
433 atomic_halo, & argument
473 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
680 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
[all …]
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| H A D | qs_fb_filter_matrix_methods.F | 582 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
592 atomic_halo, &
600 atomic_halo, &
612 atomic_halo, &
619 atomic_halo, &
841 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
851 atomic_halo, &
858 atomic_halo, &
869 atomic_halo, &
897 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
[all …]
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| H A D | qs_fb_distribution_methods.F | 140 TYPE(fb_atomic_halo_obj) :: atomic_halo local
153 CALL fb_atomic_halo_nullify(atomic_halo)
172 CALL fb_atomic_halo_create(atomic_halo)
175 CALL fb_atomic_halo_init(atomic_halo)
183 CALL fb_atomic_halo_set(atomic_halo=atomic_halo, &
188 cost_per_atom(iatom) = fb_atomic_halo_cost(atomic_halo, particle_set, qs_kind_set)
191 CALL fb_atomic_halo_release(atomic_halo)
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| H A D | qs_fb_env_methods.F | 927 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
941 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_fb_atomic_halo_types.F | 148 atomic_halo%obj%ref_count = atomic_halo%obj%ref_count + 1
166 atomic_halo%obj%ref_count = atomic_halo%obj%ref_count - 1
180 NULLIFY (atomic_halo%obj)
198 NULLIFY (atomic_halo%obj)
247 ALLOCATE (atomic_halo%obj)
250 atomic_halo%obj%natoms = 0
253 atomic_halo%obj%cost = 0.0_dp
255 atomic_halo%obj%ref_count = 1
279 atomic_halo%obj%natoms = 0
282 atomic_halo%obj%cost = 0.0_dp
[all …]
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| H A D | qs_fb_atomic_matrix_methods.F | 65 atomic_halo, & argument
86 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
128 atomic_halo, & argument
169 atomic_halo, &
341 atomic_halo, & argument
364 check_ok = fb_atomic_halo_has_data(atomic_halo)
375 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
433 atomic_halo, & argument
473 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
680 CALL fb_atomic_halo_get(atomic_halo=halos(ihalo), &
[all …]
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| H A D | qs_fb_filter_matrix_methods.F | 582 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
592 atomic_halo, &
600 atomic_halo, &
612 atomic_halo, &
619 atomic_halo, &
841 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
851 atomic_halo, &
858 atomic_halo, &
869 atomic_halo, &
897 CALL fb_atomic_halo_get(atomic_halo=atomic_halo, &
[all …]
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| H A D | qs_fb_distribution_methods.F | 140 TYPE(fb_atomic_halo_obj) :: atomic_halo local
153 CALL fb_atomic_halo_nullify(atomic_halo)
172 CALL fb_atomic_halo_create(atomic_halo)
175 CALL fb_atomic_halo_init(atomic_halo)
183 CALL fb_atomic_halo_set(atomic_halo=atomic_halo, &
188 cost_per_atom(iatom) = fb_atomic_halo_cost(atomic_halo, particle_set, qs_kind_set)
191 CALL fb_atomic_halo_release(atomic_halo)
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| H A D | qs_fb_env_methods.F | 927 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
941 CALL fb_atomic_halo_set(atomic_halo=halos(ihalo), &
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