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VARIABLE< kids_real > | NAME_WRAPPER (init::Etot, &shape_1, "total energy") |
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VARIABLE< kids_real > | NAME_WRAPPER (init::p, &shape_N, "nuclear momentum") |
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VARIABLE< kids_real > | NAME_WRAPPER (init::x, &shape_N, "nuclear coordinate") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Acoeff, &shape_P, "configuration coefficients") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::E, &shape_PF, "adiabatic energies") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::Ekin, &shape_P, "kinematic energy") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::Epot, &shape_P, "potential energy") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::Etot, &shape_P, "total energy") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::GWP::L, &shape_P, "ES used for GWP") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::GWP::L1, &shape_P, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::GWP::L2, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::R, &shape_PP, "EV used for GWP") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::R1, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::R2, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::S1, &shape_PP, "overlap used for GWP") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::S1h, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::S2, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::S2h, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::Sx, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::invS1h, &shape_PP, "inversed overlap used for GWP") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::GWP::invS2h, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Hbasis, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Hcoeff, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K0, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K1, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K1DA, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K1DD, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K1QA, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K1QD, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K2, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K2DA, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K2DD, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K2QA, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::K2QD, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::OpA, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::OpB, &shape_FF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::P_used, &shape_1, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::S, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Sele, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Snuc, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::U, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::UXdt, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::UYdt, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Ubranch, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Udt, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::Xcoeff, &shape_P, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::alpha, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::c, &shape_PF, "electronic amplitude") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::c1, &shape_PN, "langevin coefficients 1") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::c2p, &shape_PN, "langevin coefficients 2") |
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VARIABLE< kids_int > | NAME_WRAPPER (integrator::clone_account, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::dtAcoeff, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::dtSele, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::dtlnSnuc, &shape_PP, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::f, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::fadd, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::g, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::invS, &shape_PP, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::m, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::minv, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::nhc::G, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::nhc::Q, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::nhc::p, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::nhc::x, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::norm, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (integrator::occ_nuc, &shape_P, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::p, &shape_PN, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::p_sign, &shape_2, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::param::c1, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::param::c2p, &shape_X, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (integrator::pf_cross, &shape_PF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rho_dual, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rho_ele, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rho_nuc, &shape_PFF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rhored, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rhored2, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::rhored3, &shape_FF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::sqcIA, &shape_1, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::sqcID, &shape_1, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::sqcw, &shape_F, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::sqcw0, &shape_FF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::sqcwh, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::I_PP, &shape_PP, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::MatC_PP, &shape_PP, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::MatR_PP, &shape_PP, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::TtTold, &shape_FF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::direction, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::fproj, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::ftmp, &shape_N, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::fun_diag_F, &shape_F, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::fun_diag_P, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::invexpidiagdt, &shape_F, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::ve, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::tmp::vedE, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::tmp::wrho, &shape_FF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::veF, &shape_FF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_AA, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_AD, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_CC, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_CP, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_DD, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::w_PP, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::ww_A, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::ww_D, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::wz_A, &shape_P, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (integrator::wz_D, &shape_P, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::x, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (integrator::xgrid, &shape_Nxgrid, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (iter::at_samplingstep_finally, &shape_1, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (iter::at_samplingstep_initially, &shape_1, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (iter::dt, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::dtsize, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::fail_type, &shape_1, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (iter::frez, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::isamp, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::istep, &shape_1, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (iter::last_attempt, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::msize, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::nsamp, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::nstep, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::sstep, &shape_1, "") |
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VARIABLE< kids_bint > | NAME_WRAPPER (iter::succ, &shape_1, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (iter::t, &shape_1, "") |
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VARIABLE< kids_int > | NAME_WRAPPER (iter::tsize, &shape_1, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::Etot, &shape_P, "total energy in last step") |
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VARIABLE< kids_complex > | NAME_WRAPPER (last::c, &shape_PF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::dV, &shape_PNFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::g, &shape_P, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::grad, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::p, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (last::x, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::Hsys, &shape_FF, "system part of Hamiltonian") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::Tmod, &shape_NN, "normalmode transformation") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::V, &shape_PFF, "diabatic potential of energy matrix") |
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VARIABLE< kids_int > | NAME_WRAPPER (model::atoms, &shape_N, "atom indices") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::bath::coeffs, &shape_Nb, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::bath::omegas, &shape_Nb, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::bath::p_sigma, &shape_Nb, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::bath::x_sigma, &shape_Nb, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::coupling::CL, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::coupling::Q, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::coupling::QL, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::coupling::Xnj, &shape_NFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::dV, &shape_PNFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::ddV, &shape_NNFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::f_p, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::f_r, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::f_rp, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::grad, &shape_PN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::hess, &shape_PNN, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::kcoeff, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::lcoeff, &shape_X, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::mass, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::p0, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::p_sigma, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::E, &shape_PF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (model::rep::H, &shape_PFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::L, &shape_PF, "") |
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VARIABLE< kids_complex > | NAME_WRAPPER (model::rep::R, &shape_PFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::T, &shape_PFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::Told, &shape_PFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::dE, &shape_PNFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::ddE, &shape_NNFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::nac, &shape_NFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::rep::nac_prev, &shape_NFF, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::vpes, &shape_P, "scalar potential of energy") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::w, &shape_N, "") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::x0, &shape_N, "initial cencter of coordinate") |
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VARIABLE< kids_real > | NAME_WRAPPER (model::x_sigma, &shape_N, "initial width of coordinate") |
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VARIABLE< kids_int > | NAME_WRAPPER (random::seed, &shape_X, "") |
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