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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_linres_atom_current.F656 REAL(dp), ALLOCATABLE, DIMENSION(:) :: g1, g2, gauge_h, gauge_s local
756 gauge_h(nr), gauge_s(nr))
763 gauge_s(1:nr) = grid_atom%rad(1:nr)
769 gauge_s(ir) = grid_atom%rad(ir)
771 gauge_s(ir) = gauge_h(ir)
777 gauge_s(1:nr) = HUGE(0e0_dp) !0e0_dp
1030 dgg_1(1:nr, l)*gauge_s(1:nr)* &
1056 dgg_1(1:nr, l)*gauge_s(1:nr)* &
1123 gg_lm1(1:nr, l)*gauge_s(1:nr)* &
1149 gg_lm1(1:nr, l)*gauge_s(1:nr)* &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_linres_atom_current.F656 REAL(dp), ALLOCATABLE, DIMENSION(:) :: g1, g2, gauge_h, gauge_s local
756 gauge_h(nr), gauge_s(nr))
763 gauge_s(1:nr) = grid_atom%rad(1:nr)
769 gauge_s(ir) = grid_atom%rad(ir)
771 gauge_s(ir) = gauge_h(ir)
777 gauge_s(1:nr) = HUGE(0e0_dp) !0e0_dp
1030 dgg_1(1:nr, l)*gauge_s(1:nr)* &
1056 dgg_1(1:nr, l)*gauge_s(1:nr)* &
1123 gg_lm1(1:nr, l)*gauge_s(1:nr)* &
1149 gg_lm1(1:nr, l)*gauge_s(1:nr)* &
[all …]