| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_load_balance_methods.F | 131 coeffs_set, coeffs_kind, & argument
145 POINTER :: coeffs_kind local
207 coeffs_kind_max0 = MAXVAL(coeffs_kind(:, :)%x(2))
237 coeffs_set, coeffs_kind, &
905 coeffs_set, coeffs_kind, & argument
983 coeffs_set, coeffs_kind, &
1387 coeffs_set, coeffs_kind, &
1967 coeffs_set, coeffs_kind, &
2074 coeffs_kind(jkind, ikind)%x(2)
2076 coeffs_kind(lkind, kkind)%x(2)
[all …]
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| H A D | hfx_pair_list_methods.F | 458 … do_periodic, coeffs_set, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, & argument
472 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
508 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
509 … coeffs_kind(jkind, ikind)%x(2)) + coeffs_kind_max0 + pmax_blocks < log10_eps_schwarz) CYCLE
553 … do_periodic, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, & argument
561 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
600 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
601 coeffs_kind(jkind, ikind)%x(2)) + coeffs_kind_max0 < log10_eps_schwarz) CYCLE
649 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
690 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
[all …]
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| H A D | hfx_screening_methods.F | 300 coeffs_set, coeffs_kind, coeffs_pgf, radii_pgf, & argument
310 POINTER :: coeffs_kind local
549 ALLOCATE (coeffs_kind(nkind, nkind))
553 coeffs_kind(jkind, ikind)%x(:) = 0.0_dp
623 coeffs_kind(jkind, ikind)%x = x
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_load_balance_methods.F | 128 coeffs_set, coeffs_kind, & argument
142 POINTER :: coeffs_kind local
204 coeffs_kind_max0 = MAXVAL(coeffs_kind(:, :)%x(2))
234 coeffs_set, coeffs_kind, &
902 coeffs_set, coeffs_kind, & argument
980 coeffs_set, coeffs_kind, &
1384 coeffs_set, coeffs_kind, &
1957 coeffs_set, coeffs_kind, &
2064 coeffs_kind(jkind, ikind)%x(2)
2066 coeffs_kind(lkind, kkind)%x(2)
[all …]
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| H A D | hfx_pair_list_methods.F | 458 … do_periodic, coeffs_set, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, & argument
472 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
508 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
509 … coeffs_kind(jkind, ikind)%x(2)) + coeffs_kind_max0 + pmax_blocks < log10_eps_schwarz) CYCLE
553 … do_periodic, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, & argument
561 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
600 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
601 coeffs_kind(jkind, ikind)%x(2)) + coeffs_kind_max0 < log10_eps_schwarz) CYCLE
649 TYPE(hfx_screen_coeff_type), DIMENSION(:, :) :: coeffs_kind local
690 IF ((coeffs_kind(jkind, ikind)%x(1)*rab2 + &
[all …]
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| H A D | hfx_screening_methods.F | 300 coeffs_set, coeffs_kind, coeffs_pgf, radii_pgf, & argument
310 POINTER :: coeffs_kind local
549 ALLOCATE (coeffs_kind(nkind, nkind))
553 coeffs_kind(jkind, ikind)%x(:) = 0.0_dp
623 coeffs_kind(jkind, ikind)%x = x
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