/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_linres_current_utils.F | 212 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 …]
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H A D | qs_linres_current.F | 193 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 …]
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H A D | qs_linres_op.F | 128 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)
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H A D | qs_linres_types.F | 111 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
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_linres_current_utils.F | 212 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 …]
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H A D | qs_linres_current.F | 199 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 …]
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H A D | qs_linres_op.F | 128 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)
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H A D | qs_linres_types.F | 111 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
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/dports/databases/cayley/cayley-0.7.5-2-gcf576ba/svg/ |
H A D | svg.py | 40 def center_list(center, big_r): function 50 ring_centers = center_list(center, big_radius)
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/dports/graphics/py-scikit-image/scikit-image-0.19.0/doc/examples/registration/ |
H A D | plot_stitching.py | 68 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)]
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/dports/math/deal.ii/dealii-803d21ff957e349b3799cd3ef2c840bc78734305/contrib/python-bindings/source/ |
H A D | tria_accessor_wrapper.cc | 56 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()
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H A D | cell_accessor_wrapper.cc | 188 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()
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/dports/science/octopus/octopus-10.5/share/ |
H A D | varinfo | 11461 case(MINIMUM): | rsize | 'center_list' 11462 case(BADER): | 'center_list' 11469 center_list: string containing the list of atoms in xyz file for each
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/dports/science/octopus/octopus-10.5/ |
H A D | ChangeLog | 12875 !% case(MINIMUM): | 'center_list' 12882 !% center_list < string containing the list of atoms in xyz file
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