Home
last modified time | relevance | path

Searched refs:screen_coeffs_kind (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_direct_method.F172 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
200 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, &
214 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
236 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
243 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
437 screen_kind_ij = screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
438 screen_coeffs_kind(jkind, ikind)%x(2)
439 screen_kind_kl = screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
440 screen_coeffs_kind(lkind, kkind)%x(2)
H A Dhfx_derivatives.F206 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
563 screen_coeffs_kind => actual_x_data%screen_funct_coeffs_kind
578 screen_coeffs_set, screen_coeffs_kind, &
720 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
941 … do_periodic, screen_coeffs_set, screen_coeffs_kind, coeffs_kind_max0, &
947 … do_periodic, screen_coeffs_set, screen_coeffs_kind, coeffs_kind_max0, &
1018 IF ((screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
1019 screen_coeffs_kind(jkind, ikind)%x(2)) + &
1020 (screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
1021 screen_coeffs_kind(lkind, kkind)%x(2)) + pmax_atom < log10_eps_schwarz) CYCLE
[all …]
H A Dmp2_ri_libint.F480 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
506 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, &
714 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
735 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1003 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & argument
1038 POINTER :: screen_coeffs_kind local
1187 screen_coeffs_kind => shm_master_x_data%screen_funct_coeffs_kind
H A Dhfx_energy_potential.F234 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
839 screen_coeffs_kind => shm_master_x_data%screen_funct_coeffs_kind
862 screen_coeffs_set, screen_coeffs_kind, &
1042 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
1066 … do_periodic, screen_coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, &
1166 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1173 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1236 screen_kind_ij = screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
1237 screen_coeffs_kind(jkind, ikind)%x(2)
1238 screen_kind_kl = screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_direct_method.F172 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
200 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, &
214 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
236 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
243 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
437 screen_kind_ij = screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
438 screen_coeffs_kind(jkind, ikind)%x(2)
439 screen_kind_kl = screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
440 screen_coeffs_kind(lkind, kkind)%x(2)
H A Dhfx_derivatives.F203 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
557 screen_coeffs_kind => actual_x_data%screen_funct_coeffs_kind
572 screen_coeffs_set, screen_coeffs_kind, &
714 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
935 … do_periodic, screen_coeffs_set, screen_coeffs_kind, coeffs_kind_max0, &
941 … do_periodic, screen_coeffs_set, screen_coeffs_kind, coeffs_kind_max0, &
1012 IF ((screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
1013 screen_coeffs_kind(jkind, ikind)%x(2)) + &
1014 (screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
1015 screen_coeffs_kind(lkind, kkind)%x(2)) + pmax_atom < log10_eps_schwarz) CYCLE
[all …]
H A Dmp2_ri_libint.F480 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
506 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, &
714 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
735 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1003 … private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, & argument
1038 POINTER :: screen_coeffs_kind local
1187 screen_coeffs_kind => shm_master_x_data%screen_funct_coeffs_kind
H A Dhfx_energy_potential.F234 POINTER :: screen_coeffs_kind, tmp_R_1, tmp_R_2, & local
839 screen_coeffs_kind => shm_master_x_data%screen_funct_coeffs_kind
862 screen_coeffs_set, screen_coeffs_kind, &
1042 coeffs_kind_max0 = MAXVAL(screen_coeffs_kind(:, :)%x(2))
1066 … do_periodic, screen_coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, &
1166 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1173 do_periodic, screen_coeffs_set, screen_coeffs_kind, &
1236 screen_kind_ij = screen_coeffs_kind(jkind, ikind)%x(1)*rab2 + &
1237 screen_coeffs_kind(jkind, ikind)%x(2)
1238 screen_kind_kl = screen_coeffs_kind(lkind, kkind)%x(1)*rcd2 + &
[all …]