/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_pair_list_methods.F | 65 log10_pmax, log10_eps_schwarz, neighbor_cells, & argument 72 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 105 IF (pgf_max_1 + pgf_max_2 + log10_pmax < log10_eps_schwarz) CYCLE 339 log10_pmax, log10_eps_schwarz, ra, rb, nelements, & argument 348 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz, ra(3), & local 370 IF (screen1(1)*rab2 + screen1(2) + screen2(2) + log10_pmax < log10_eps_schwarz) CYCLE 376 IF (pgf_max + screen2(2) + log10_pmax < log10_eps_schwarz) THEN
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H A D | hfx_derivatives.F | 164 log10_pmax, log_2, max_contraction_val, max_val1, max_val2, max_val2_set, & local 1229 log10_pmax = log_2 + pmax_tmp 1231 log10_pmax = 0.0_dp 1234 max_val2 = max_val2 + log10_pmax 1237 pmax_entry = EXP(log10_pmax*ln_10) 1301 log10_pmax, log10_eps_schwarz, & 1840 cart_estimate, cell, neris_tmp, log10_pmax, & argument 1872 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 1900 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, & 1904 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, & [all …]
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H A D | hfx_energy_potential.F | 195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local 1451 log10_pmax = pmax_entry 1452 max_val2 = max_val2 + log10_pmax 1454 pmax_entry = EXP(log10_pmax*ln_10) 1535 log10_pmax, log10_eps_schwarz, & 2258 cart_estimate, cell, neris_tmp, log10_pmax, & argument 2286 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 2308 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, & 2312 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, & 2331 … nproducts, log10_pmax, log10_eps_schwarz, neighbor_cells, cell, &
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H A D | mp2_ri_libint.F | 454 log10_eps_schwarz, log10_pmax, max_contraction_val, pmax_atom, pmax_entry, ra(3), rb(3), & local 620 log10_pmax = pmax_entry 642 log10_pmax, log10_eps_schwarz, & 845 log10_pmax = pmax_entry 870 log10_pmax, log10_eps_schwarz, &
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H A D | mp2_direct_method.F | 146 log10_eps_schwarz, log10_pmax, max_contraction_val, max_val1, max_val2, max_val2_set, & local 486 log10_pmax = pmax_entry 487 max_val2 = max_val2 + log10_pmax 489 pmax_entry = EXP(log10_pmax*ln_10) 521 log10_pmax, log10_eps_schwarz, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_pair_list_methods.F | 65 log10_pmax, log10_eps_schwarz, neighbor_cells, & argument 72 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 105 IF (pgf_max_1 + pgf_max_2 + log10_pmax < log10_eps_schwarz) CYCLE 339 log10_pmax, log10_eps_schwarz, ra, rb, nelements, & argument 348 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz, ra(3), & local 370 IF (screen1(1)*rab2 + screen1(2) + screen2(2) + log10_pmax < log10_eps_schwarz) CYCLE 376 IF (pgf_max + screen2(2) + log10_pmax < log10_eps_schwarz) THEN
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H A D | hfx_derivatives.F | 160 log10_pmax, log_2, max_contraction_val, max_val1, max_val2, max_val2_set, & local 1221 log10_pmax = log_2 + pmax_tmp 1223 log10_pmax = 0.0_dp 1226 max_val2 = max_val2 + log10_pmax 1229 pmax_entry = EXP(log10_pmax*ln_10) 1291 log10_pmax, log10_eps_schwarz, & 1826 cart_estimate, cell, neris_tmp, log10_pmax, & argument 1858 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 1886 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, & 1890 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, & [all …]
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H A D | hfx_energy_potential.F | 195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local 1451 log10_pmax = pmax_entry 1452 max_val2 = max_val2 + log10_pmax 1454 pmax_entry = EXP(log10_pmax*ln_10) 1535 log10_pmax, log10_eps_schwarz, & 2258 cart_estimate, cell, neris_tmp, log10_pmax, & argument 2286 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local 2308 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, & 2312 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, & 2331 … nproducts, log10_pmax, log10_eps_schwarz, neighbor_cells, cell, &
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H A D | mp2_ri_libint.F | 454 log10_eps_schwarz, log10_pmax, max_contraction_val, pmax_atom, pmax_entry, ra(3), rb(3), & local 620 log10_pmax = pmax_entry 642 log10_pmax, log10_eps_schwarz, & 845 log10_pmax = pmax_entry 870 log10_pmax, log10_eps_schwarz, &
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H A D | mp2_direct_method.F | 146 log10_eps_schwarz, log10_pmax, max_contraction_val, max_val1, max_val2, max_val2_set, & local 486 log10_pmax = pmax_entry 487 max_val2 = max_val2 + log10_pmax 489 pmax_entry = EXP(log10_pmax*ln_10) 521 log10_pmax, log10_eps_schwarz, &
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