| available_memory_ | psi::mcpdft::MCPDFTSolver | |
| bas_ | psi::mcpdft::MCPDFTSolver | |
| Build_Grad_Pi() | psi::mcpdft::MCPDFTSolver | |
| Build_R() | psi::mcpdft::MCPDFTSolver | |
| BuildExchangeCorrelationHole(int p, tpdm *D2ab, int nab, tpdm *D2aa, int naa, tpdm *D2bb, int nbb) | psi::mcpdft::MCPDFTSolver | |
| BuildJK() | psi::mcpdft::MCPDFTSolver | |
| BuildPhiMatrixAO(std::string phi_type, std::shared_ptr< Matrix > myphi) | psi::mcpdft::MCPDFTSolver | |
| BuildPi(double *D2ab) | psi::mcpdft::MCPDFTSolver | |
| BuildPiFast(tpdm *D2ab, int nab) | psi::mcpdft::MCPDFTSolver | |
| BuildPiLowMemory(tpdm *D2ab, int nab) | psi::mcpdft::MCPDFTSolver | |
| BuildRho() | psi::mcpdft::MCPDFTSolver | |
| BuildRhoFast(int na, int nb) | psi::mcpdft::MCPDFTSolver | |
| common_init() | psi::mcpdft::MCPDFTSolver | |
| compute_energy() | psi::mcpdft::MCPDFTSolver | |
| coulomb_energy_ | psi::mcpdft::MCPDFTSolver | |
| deriv_ | psi::mcpdft::MCPDFTSolver | |
| Dr_ | psi::mcpdft::MCPDFTSolver | |
| EC_B88_OP(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EC_LYP_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_AB, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EC_PBE(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_AB, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EC_PBE_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_AB, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EC_PW92_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B) | psi::mcpdft::MCPDFTSolver | |
| EC_VWN3_RPA(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > ZETA, std::shared_ptr< Vector > RS) | psi::mcpdft::MCPDFTSolver | |
| EC_VWN3_RPA_III(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B) | psi::mcpdft::MCPDFTSolver | |
| erfc_tei_ | psi::mcpdft::MCPDFTSolver | |
| EX_B86_MGC() | psi::mcpdft::MCPDFTSolver | |
| EX_B88(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EX_B88_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EX_LDA(std::shared_ptr< Vector > rho_a, std::shared_ptr< Vector > rho_b) | psi::mcpdft::MCPDFTSolver | |
| EX_LSDA(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > ZETA) | psi::mcpdft::MCPDFTSolver | |
| EX_LSDA(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B) | psi::mcpdft::MCPDFTSolver | |
| EX_LSDA_Sigma(std::shared_ptr< Vector > rho_sigma) | psi::mcpdft::MCPDFTSolver | |
| EX_PBE(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EX_PBE_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| EX_RPBE() | psi::mcpdft::MCPDFTSolver | |
| EX_UPBE() | psi::mcpdft::MCPDFTSolver | |
| EX_wPBE_I(std::shared_ptr< Vector > RHO_A, std::shared_ptr< Vector > RHO_B, std::shared_ptr< Vector > SIGMA_AA, std::shared_ptr< Vector > SIGMA_BB) | psi::mcpdft::MCPDFTSolver | |
| Fully_Translate() | psi::mcpdft::MCPDFTSolver | |
| gems_ | psi::mcpdft::MCPDFTSolver | |
| GetGridInfo() | psi::mcpdft::MCPDFTSolver | |
| Gfunction(double r, double A, double a1, double b1, double b2, double b3, double b4, double p) | psi::mcpdft::MCPDFTSolver | |
| grid_w_ | psi::mcpdft::MCPDFTSolver | |
| grid_x_ | psi::mcpdft::MCPDFTSolver | |
| grid_y_ | psi::mcpdft::MCPDFTSolver | |
| grid_z_ | psi::mcpdft::MCPDFTSolver | |
| hf_ex_energy_ | psi::mcpdft::MCPDFTSolver | |
| ibas_ | psi::mcpdft::MCPDFTSolver | |
| is_df_ | psi::mcpdft::MCPDFTSolver | |
| is_gga_ | psi::mcpdft::MCPDFTSolver | |
| is_low_memory_ | psi::mcpdft::MCPDFTSolver | |
| is_meta_ | psi::mcpdft::MCPDFTSolver | |
| is_unpolarized_ | psi::mcpdft::MCPDFTSolver | |
| lr_ex_energy_ | psi::mcpdft::MCPDFTSolver | |
| lr_Vee_energy_ | psi::mcpdft::MCPDFTSolver | |
| m_ | psi::mcpdft::MCPDFTSolver | |
| max_functions_ | psi::mcpdft::MCPDFTSolver | |
| max_points_ | psi::mcpdft::MCPDFTSolver | |
| MCPDFTSolver(std::shared_ptr< psi::Wavefunction > reference_wavefunction, Options &options) | psi::mcpdft::MCPDFTSolver | |
| mp2_corr_energy_ | psi::mcpdft::MCPDFTSolver | |
| nQ_ | psi::mcpdft::MCPDFTSolver | |
| Nr_ | psi::mcpdft::MCPDFTSolver | |
| opdm_a_ | psi::mcpdft::MCPDFTSolver | |
| opdm_b_ | psi::mcpdft::MCPDFTSolver | |
| phi_points_ | psi::mcpdft::MCPDFTSolver | |
| pi_ | psi::mcpdft::MCPDFTSolver | |
| pi_x_ | psi::mcpdft::MCPDFTSolver | |
| pi_y_ | psi::mcpdft::MCPDFTSolver | |
| pi_z_ | psi::mcpdft::MCPDFTSolver | |
| pitzer_offset_ | psi::mcpdft::MCPDFTSolver | |
| points_func_ | psi::mcpdft::MCPDFTSolver | |
| polyradical_analysis() | psi::mcpdft::MCPDFTSolver | |
| potential_ | psi::mcpdft::MCPDFTSolver | |
| print_banner() | psi::mcpdft::MCPDFTSolver | |
| PrintTPDM(double *D) | psi::mcpdft::MCPDFTSolver | |
| R_ | psi::mcpdft::MCPDFTSolver | |
| RangeSeparatedTEE(std::string range_separation_type) | psi::mcpdft::MCPDFTSolver | |
| ReadAllIntegrals(iwlbuf *Buf) | psi::mcpdft::MCPDFTSolver | |
| ReadCIOPDM(std::shared_ptr< Matrix > D, const char *fileName) | psi::mcpdft::MCPDFTSolver | |
| ReadCITPDM(double *D, const char *fileName) | psi::mcpdft::MCPDFTSolver | |
| ReadOPDM() | psi::mcpdft::MCPDFTSolver | |
| ReadRangeSeparatedIntegrals() | psi::mcpdft::MCPDFTSolver | |
| ReadTPDM() | psi::mcpdft::MCPDFTSolver | |
| reference_energy_ | psi::mcpdft::MCPDFTSolver | |
| rho_ | psi::mcpdft::MCPDFTSolver | |
| rho_a_ | psi::mcpdft::MCPDFTSolver | |
| rho_a_x_ | psi::mcpdft::MCPDFTSolver | |
| rho_a_y_ | psi::mcpdft::MCPDFTSolver | |
| rho_a_z_ | psi::mcpdft::MCPDFTSolver | |
| rho_b_ | psi::mcpdft::MCPDFTSolver | |
| rho_b_x_ | psi::mcpdft::MCPDFTSolver | |
| rho_b_y_ | psi::mcpdft::MCPDFTSolver | |
| rho_b_z_ | psi::mcpdft::MCPDFTSolver | |
| rs_ | psi::mcpdft::MCPDFTSolver | |
| same_a_b_dens() const | psi::mcpdft::MCPDFTSolver | inlinevirtual |
| same_a_b_orbs() const | psi::mcpdft::MCPDFTSolver | inlinevirtual |
| sigma_aa_ | psi::mcpdft::MCPDFTSolver | |
| sigma_ab_ | psi::mcpdft::MCPDFTSolver | |
| sigma_bb_ | psi::mcpdft::MCPDFTSolver | |
| sr_Vee_energy_ | psi::mcpdft::MCPDFTSolver | |
| super_gamma_aa_ | psi::mcpdft::MCPDFTSolver | |
| super_gamma_ab_ | psi::mcpdft::MCPDFTSolver | |
| super_gamma_bb_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_x_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_xx_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_xy_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_xz_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_y_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_yy_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_yz_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_z_ | psi::mcpdft::MCPDFTSolver | |
| super_phi_zz_ | psi::mcpdft::MCPDFTSolver | |
| super_tau_a_ | psi::mcpdft::MCPDFTSolver | |
| super_tau_b_ | psi::mcpdft::MCPDFTSolver | |
| symmetry_ | psi::mcpdft::MCPDFTSolver | |
| tau_a_ | psi::mcpdft::MCPDFTSolver | |
| tau_b_ | psi::mcpdft::MCPDFTSolver | |
| tr_m_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_a_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_a_x_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_a_y_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_a_z_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_b_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_b_x_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_b_y_ | psi::mcpdft::MCPDFTSolver | |
| tr_rho_b_z_ | psi::mcpdft::MCPDFTSolver | |
| tr_rs_ | psi::mcpdft::MCPDFTSolver | |
| tr_sigma_ | psi::mcpdft::MCPDFTSolver | |
| tr_sigma_aa_ | psi::mcpdft::MCPDFTSolver | |
| tr_sigma_ab_ | psi::mcpdft::MCPDFTSolver | |
| tr_sigma_bb_ | psi::mcpdft::MCPDFTSolver | |
| tr_zeta_ | psi::mcpdft::MCPDFTSolver | |
| TransformPhiMatrixAOMO(std::shared_ptr< Matrix > phi_in, std::shared_ptr< Matrix > phi_out) | psi::mcpdft::MCPDFTSolver | |
| Translate() | psi::mcpdft::MCPDFTSolver | |
| two_electron_energy_ | psi::mcpdft::MCPDFTSolver | |
| Ur_ | psi::mcpdft::MCPDFTSolver | |
| zeta_ | psi::mcpdft::MCPDFTSolver | |
| ~MCPDFTSolver() | psi::mcpdft::MCPDFTSolver | |
