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Searched refs:center_list (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_linres_current_utils.F212 center_list=center_list, &
464 … DO j = center_list(ispin)%array(1, jcenter), center_list(ispin)%array(1, jcenter + 1) - 1
517 … DO i = center_list(ispin)%array(1, ist_true), center_list(ispin)%array(1, ist_true + 1) - 1
518 istate = center_list(ispin)%array(2, i)
882 current_env%center_list(ispin)%array(:, :) = HUGE(0)
906 current_env%center_list(ispin)%array(1, 1) = 1
935 current_env%center_list(ispin)%array(1, 1) = 1
997 current_env%center_list(ispin)%array(1, 1) = 1
1427 DO ispin = 1, SIZE(current_env%center_list, 1)
1428 DEALLOCATE (current_env%center_list(ispin)%array)
[all …]
H A Dqs_linres_current.F193 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
232 center_list=center_list, &
357 DO j = center_list(ispin)%array(1, istate), center_list(ispin)%array(1, istate + 1) - 1
358 jstate = center_list(ispin)%array(2, j)
2104 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
2154 center_list=center_list, &
2305 … nstate_loc = center_list(ispin)%array(1, icenter + 1) - center_list(ispin)%array(1, icenter)
2307 … DO j = center_list(ispin)%array(1, icenter), center_list(ispin)%array(1, icenter + 1) - 1
2308 istate = center_list(ispin)%array(2, j)
2552 op_mom_der_ao, center_list, centers_set, &
[all …]
H A Dqs_linres_op.F128 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
152 basisfun_center, centers_set, center_list, p_psi0, &
181 center_list=center_list, basisfun_center=basisfun_center, &
267 … DO j = center_list(ispin)%array(1, icenter), center_list(ispin)%array(1, icenter + 1) - 1
268 istate = center_list(ispin)%array(2, j)
H A Dqs_linres_types.F111 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list component
333 NULLIFY (current_env%center_list)
458 … nbr_center, center_list, centers_set, psi1_p, psi1_rxp, psi1_D, p_psi0, & argument
473 POINTER :: center_list local
512 IF (PRESENT(center_list)) center_list => current_env%center_list
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_linres_current_utils.F212 center_list=center_list, &
464 … DO j = center_list(ispin)%array(1, jcenter), center_list(ispin)%array(1, jcenter + 1) - 1
517 … DO i = center_list(ispin)%array(1, ist_true), center_list(ispin)%array(1, ist_true + 1) - 1
518 istate = center_list(ispin)%array(2, i)
882 current_env%center_list(ispin)%array(:, :) = HUGE(0)
906 current_env%center_list(ispin)%array(1, 1) = 1
935 current_env%center_list(ispin)%array(1, 1) = 1
997 current_env%center_list(ispin)%array(1, 1) = 1
1427 DO ispin = 1, SIZE(current_env%center_list, 1)
1428 DEALLOCATE (current_env%center_list(ispin)%array)
[all …]
H A Dqs_linres_current.F199 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
238 center_list=center_list, &
363 DO j = center_list(ispin)%array(1, istate), center_list(ispin)%array(1, istate + 1) - 1
364 jstate = center_list(ispin)%array(2, j)
2287 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
2337 center_list=center_list, &
2488 … nstate_loc = center_list(ispin)%array(1, icenter + 1) - center_list(ispin)%array(1, icenter)
2490 … DO j = center_list(ispin)%array(1, icenter), center_list(ispin)%array(1, icenter + 1) - 1
2491 istate = center_list(ispin)%array(2, j)
2735 op_mom_der_ao, center_list, centers_set, &
[all …]
H A Dqs_linres_op.F128 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list local
152 basisfun_center, centers_set, center_list, p_psi0, &
181 center_list=center_list, basisfun_center=basisfun_center, &
267 … DO j = center_list(ispin)%array(1, icenter), center_list(ispin)%array(1, icenter + 1) - 1
268 istate = center_list(ispin)%array(2, j)
H A Dqs_linres_types.F111 TYPE(cp_2d_i_p_type), DIMENSION(:), POINTER :: center_list component
333 NULLIFY (current_env%center_list)
458 … nbr_center, center_list, centers_set, psi1_p, psi1_rxp, psi1_D, p_psi0, & argument
473 POINTER :: center_list local
512 IF (PRESENT(center_list)) center_list => current_env%center_list
/dports/databases/cayley/cayley-0.7.5-2-gcf576ba/svg/
H A Dsvg.py40 def center_list(center, big_r): function
50 ring_centers = center_list(center, big_radius)
/dports/graphics/py-scikit-image/scikit-image-0.19.0/doc/examples/registration/
H A Dplot_stitching.py68 center_list = [(0, 0), (10, 10), (5, 12), (11, 21), (21, 17), (43, 15)] variable
71 for a, c in zip(angle_list, center_list)]
/dports/math/deal.ii/dealii-803d21ff957e349b3799cd3ef2c840bc78734305/contrib/python-bindings/source/
H A Dtria_accessor_wrapper.cc56 boost::python::list center_list; in get_center() local
58 center_list.append(center[i]); in get_center()
60 return PointWrapper(center_list); in get_center()
H A Dcell_accessor_wrapper.cc188 boost::python::list center_list; in get_center() local
190 center_list.append(center[i]); in get_center()
192 return PointWrapper(center_list); in get_center()
/dports/science/octopus/octopus-10.5/share/
H A Dvarinfo11461 case(MINIMUM): | rsize | 'center_list'
11462 case(BADER): | 'center_list'
11469 center_list: string containing the list of atoms in xyz file for each
/dports/science/octopus/octopus-10.5/
H A DChangeLog12875 !% case(MINIMUM): | 'center_list'
12882 !% center_list < string containing the list of atoms in xyz file