/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_libint_interface.F | 97 Eta = Zeta_C + Zeta_D 106 Q(i) = (Zeta_C*C(i) + Zeta_D*D(i))*EtaInv 247 num = den*Zeta_D 248 den = den + Zeta_D 293 Zeta_A, Zeta_B, Zeta_C, Zeta_D, & argument 471 Zeta_A, Zeta_B, Zeta_C, Zeta_D, & 566 Zeta_B, Zeta_A, Zeta_C, Zeta_D, & 661 Zeta_A, Zeta_B, Zeta_D, Zeta_C, & 755 Zeta_B, Zeta_A, Zeta_D, Zeta_C, & 849 Zeta_C, Zeta_D, Zeta_A, Zeta_B, & [all …]
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H A D | libint_wrapper.F | 197 libint%prv(1)%two_alpha1_ket(1) = 2.0_dp*Zeta_D 200 gammaq = Zeta_C + Zeta_D 204 libint%prv(1)%alpha4_rho_over_eta2(1) = Zeta_D*gammapq/(gammaq*gammaq) 207 libint%prv(1)%alpha4_over_zetapluseta(1) = Zeta_D/(gammap+gammaq) 210 rhoq = Zeta_C*Zeta_D/gammaq
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H A D | hfx_pair_list_methods.F | 84 temp(3), temp_CC(3), temp_DD(3), tmp, tmp_D(3), W(3), Zeta1, Zeta_C, Zeta_D, ZetapEtaInv local 95 Zeta_D = list2%zetb 133 Q = (Zeta_C*C11 + Zeta_D*tmp_D)*EtaInv 283 num = den*Zeta_D 284 den = den + Zeta_D
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H A D | hfx_derivatives.F | 1883 Zeta_B, Zeta_C, Zeta_D, ZetaInv local 1911 Zeta_D = pgf_list_kl(list_kl)%zetb 1950 Zeta_A, Zeta_B, Zeta_C, Zeta_D, ZetaInv, EtaInv, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_libint_interface.F | 97 Eta = Zeta_C + Zeta_D 106 Q(i) = (Zeta_C*C(i) + Zeta_D*D(i))*EtaInv 247 num = den*Zeta_D 248 den = den + Zeta_D 293 Zeta_A, Zeta_B, Zeta_C, Zeta_D, & argument 471 Zeta_A, Zeta_B, Zeta_C, Zeta_D, & 566 Zeta_B, Zeta_A, Zeta_C, Zeta_D, & 661 Zeta_A, Zeta_B, Zeta_D, Zeta_C, & 755 Zeta_B, Zeta_A, Zeta_D, Zeta_C, & 849 Zeta_C, Zeta_D, Zeta_A, Zeta_B, & [all …]
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H A D | libint_wrapper.F | 196 libint%prv(1)%two_alpha1_ket(1) = 2.0_dp*Zeta_D 199 gammaq = Zeta_C + Zeta_D 203 libint%prv(1)%alpha4_rho_over_eta2(1) = Zeta_D*gammapq/(gammaq*gammaq) 206 libint%prv(1)%alpha4_over_zetapluseta(1) = Zeta_D/(gammap + gammaq) 209 rhoq = Zeta_C*Zeta_D/gammaq
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H A D | hfx_pair_list_methods.F | 84 temp(3), temp_CC(3), temp_DD(3), tmp, tmp_D(3), W(3), Zeta1, Zeta_C, Zeta_D, ZetapEtaInv local 95 Zeta_D = list2%zetb 133 Q = (Zeta_C*C11 + Zeta_D*tmp_D)*EtaInv 283 num = den*Zeta_D 284 den = den + Zeta_D
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H A D | hfx_derivatives.F | 1897 Zeta_B, Zeta_C, Zeta_D, ZetaInv local 1925 Zeta_D = pgf_list_kl(list_kl)%zetb 1964 Zeta_A, Zeta_B, Zeta_C, Zeta_D, ZetaInv, EtaInv, &
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