Searched refs:gg_lm1 (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_linres_atom_current.F | 659 gg_lm1 local 824 gg_lm1 = 0.0_dp 834 gg_lm1(1:nr, lmin12) = 0.0_dp 842 gg_lm1(1:nr, l) = gg(1:nr, l - 1) 1107 gg_lm1(1:nr, l)* & 1112 gg_lm1(1:nr, l)* & 1118 gg_lm1(1:nr, l)*gauge_h(1:nr)* & 1123 gg_lm1(1:nr, l)*gauge_s(1:nr)* & 1133 gg_lm1(1:nr, l)* & 1138 gg_lm1(1:nr, l)* & [all …]
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H A D | qs_rho_atom_methods.F | 130 … REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: CPCH_sphere, CPCS_sphere, dgg, gg, gg_lm1 local 171 ALLOCATE (g1(nr), g2(nr), gg0(nr), gg(nr, 0:2*maxl), dgg(nr, 0:2*maxl), gg_lm1(nr, 0:2*maxl)) 241 gg_lm1 = 0.0_dp 248 gg_lm1(1:nr, lmin12) = 0.0_dp 253 gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr) 261 gg_lm1(1:nr, l) = gg(1:nr, l - 1) 389 … gg_lm1(1:nr, l)*CPCH_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso) 393 … gg_lm1(1:nr, l)*CPCS_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso) 453 DEALLOCATE (g1, g2, gg0, gg, gg_lm1, dgg, vgg, done_vgg, erf_zet12, int1, int2)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_linres_atom_current.F | 659 gg_lm1 local 824 gg_lm1 = 0.0_dp 834 gg_lm1(1:nr, lmin12) = 0.0_dp 842 gg_lm1(1:nr, l) = gg(1:nr, l - 1) 1107 gg_lm1(1:nr, l)* & 1112 gg_lm1(1:nr, l)* & 1118 gg_lm1(1:nr, l)*gauge_h(1:nr)* & 1123 gg_lm1(1:nr, l)*gauge_s(1:nr)* & 1133 gg_lm1(1:nr, l)* & 1138 gg_lm1(1:nr, l)* & [all …]
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H A D | qs_rho_atom_methods.F | 127 … REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: CPCH_sphere, CPCS_sphere, dgg, gg, gg_lm1 local 169 ALLOCATE (g1(nr), g2(nr), gg0(nr), gg(nr, 0:2*maxl), dgg(nr, 0:2*maxl), gg_lm1(nr, 0:2*maxl)) 239 gg_lm1 = 0.0_dp 246 gg_lm1(1:nr, lmin12) = 0.0_dp 251 gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr) 259 gg_lm1(1:nr, l) = gg(1:nr, l - 1) 387 … gg_lm1(1:nr, l)*CPCH_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso) 391 … gg_lm1(1:nr, l)*CPCS_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso) 451 DEALLOCATE (g1, g2, gg0, gg, gg_lm1, dgg, vgg, done_vgg, erf_zet12, int1, int2)
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