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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_libint_interface.F97 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 …]
H A Dlibint_wrapper.F197 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
H A Dhfx_pair_list_methods.F84 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
H A Dhfx_derivatives.F1883 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, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_libint_interface.F97 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 …]
H A Dlibint_wrapper.F196 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
H A Dhfx_pair_list_methods.F84 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
H A Dhfx_derivatives.F1897 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, &