.. _`apdx:cphf`: CPHF ==== Performs second order Moller-Plesset perturbation theory (MP2) computations. This code can// compute RHF/ROHF/UHF energies, and RHF gradient/property computations. However, given the small errors introduced,// we recommend using the new density fitted MP2 codes instead, which are much more efficient. .. toctree:: :hidden: :glob: cphf__* General _______ .. include:: cphf__cachelevel.rst .. include:: cphf__cachetype.rst .. include:: cphf__cis_ad_states.rst .. include:: cphf__cis_amplitude_cutoff.rst .. include:: cphf__cis_dopdm_states.rst .. include:: cphf__cis_mem_safety_factor.rst .. include:: cphf__cis_no_states.rst .. include:: cphf__cis_opdm_states.rst .. include:: cphf__cis_topdm_states.rst .. include:: cphf__cphf_mem_safety_factor.rst .. include:: cphf__cphf_tasks.rst .. include:: cphf__debug.rst .. include:: cphf__df_basis_scf.rst .. include:: cphf__do_singlets.rst .. include:: cphf__do_triplets.rst .. include:: cphf__explicit_hamiltonian.rst .. include:: cphf__fitting_algorithm.rst .. include:: cphf__fitting_condition.rst .. include:: cphf__module.rst .. include:: cphf__mp2_os_scale.rst .. include:: cphf__mp2_ss_scale.rst .. include:: cphf__mp2_type.rst .. include:: cphf__omp_n_thread.rst .. include:: cphf__opdm.rst .. include:: cphf__opdm_relax.rst .. include:: cphf__print.rst .. include:: cphf__reference.rst .. include:: cphf__scf_type.rst .. include:: cphf__schwarz_cutoff.rst .. include:: cphf__scs.rst .. include:: cphf__scs_n.rst .. include:: cphf__solver_convergence.rst .. include:: cphf__solver_exact_diagonal.rst .. include:: cphf__solver_maxiter.rst .. include:: cphf__solver_max_subspace.rst .. include:: cphf__solver_min_subspace.rst .. include:: cphf__solver_norm.rst .. include:: cphf__solver_n_guess.rst .. include:: cphf__solver_n_root.rst .. include:: cphf__solver_precondition.rst .. include:: cphf__solver_precondition_maxiter.rst .. include:: cphf__solver_precondition_steps.rst .. include:: cphf__solver_quantity.rst .. include:: cphf__solver_type.rst .. include:: cphf__tdhf_mem_safety_factor.rst *Expert* ________ .. include:: cphf__jobtype.rst .. include:: cphf__wfn.rst