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Searched refs:gg_lm1 (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_linres_atom_current.F659 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 …]
H A Dqs_rho_atom_methods.F130 … 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)
389gg_lm1(1:nr, l)*CPCH_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso)
393gg_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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_linres_atom_current.F659 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 …]
H A Dqs_rho_atom_methods.F127 … 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)
387gg_lm1(1:nr, l)*CPCH_sphere(iso1, iso2)*my_CG_dxyz(j, iso1, iso2, iso)
391gg_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)