mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 14:03:37 +01:00
1 line
182 KiB
JavaScript
1 line
182 KiB
JavaScript
|
Search.setIndex({docnames:["appendix/benchmarks","appendix/contributors","appendix/license","appendix/research","index","intro/install","intro/intro","intro/selected_ci","modules/ao_basis","modules/ao_one_e_ints","modules/ao_two_e_erf_ints","modules/ao_two_e_ints","modules/aux_quantities","modules/becke_numerical_grid","modules/bitmask","modules/cipsi","modules/cis","modules/cisd","modules/davidson","modules/davidson_dressed","modules/davidson_undressed","modules/density_for_dft","modules/determinants","modules/dft_keywords","modules/dft_utils_in_r","modules/dft_utils_one_e","modules/dressing","modules/electrons","modules/ezfio_files","modules/fci","modules/generators_cas","modules/generators_full","modules/hartree_fock","modules/iterations","modules/kohn_sham","modules/kohn_sham_rs","modules/mo_basis","modules/mo_guess","modules/mo_one_e_ints","modules/mo_two_e_erf_ints","modules/mo_two_e_ints","modules/mpi","modules/nuclei","modules/perturbation","modules/pseudo","modules/psiref_cas","modules/psiref_utils","modules/scf_utils","modules/selectors_cassd","modules/selectors_full","modules/selectors_utils","modules/single_ref_method","modules/tools","modules/utils","modules/zmq","programmers_guide/conventions","programmers_guide/ezfio","programmers_guide/index","programmers_guide/index_providers","programmers_guide/plugins","programmers_guide/programming","programmers_guide/qp_name","programmers_guide/qp_test","programs/cis","programs/cisd","programs/diagonalize_h","programs/fci","programs/fcidump","programs/four_idx_transform","programs/ks_scf","programs/molden","programs/print_e_conv","programs/print_wf","programs/pt2","programs/rs_ks_scf","programs/save_natorb","programs/save_one_e_dm","programs/save_ortho_mos","programs/scf","programs/write_integrals_erf","users_guide/configure","users_guide/excited_states","users_guide/index","users_guide/interfaces","users_guide/natural_orbitals","users_guide/plugins","users_guide/printing","users_guide/qp_convert_output_to_ezfio","users_guide/qp_create_ezfio_from_xyz","users_guide/qp_edit","users_guide/qp_export_as_tgz","users_guide/qp_plugins","users_guide/qp_run","users_guide/qp_set_frozen_core","users_guide/qp_set_mo_class","users_guide/qp_stop","users_guide/qp_update","users_guide/qpsh","users_guide/quickstart","work"],envversion:{"sphinx.domains.c":1,"sphinx.domains.changeset":1,"sphinx.domains.cpp":1,"sphinx.domains.javascript":1,"sphinx.domains.math":1,"sphinx.domains.python":1,"sphinx.domains.rst":1,"sphinx.domains.std":1,sphinx:55},filenames:["appendix/benchmarks.rst","appendix/contributors.rst","appendix/license.rst","appendix/research.rst","index.rst","intro/install.rst","intro/intro.rst","intro/selected_ci.rst","modules/ao_basis.rst","modules/ao_one_e_ints.rst","modules/ao_two_e_erf_ints.rst","modules/ao_two_e_ints.rst","modules/aux_quantities.rst","modules/becke_numerical_grid.rst","modules/bitmask.rst","modules/cipsi.rst","modules/cis.rst","modules/cisd.rst","modules/davidson.rst","modules/davidson_dressed.rst","modules/davidson_undressed.rst","modules/density_for_dft.rst","modules/determinants.rst","modules/dft_keywords.rst","modules/dft_utils_in_r.rst","modules/dft_utils_one_e.rst","modules/dressing.rst","modules/electrons.rst","modules/ezfio_files.rst","modules/fci.rst","modules/generators_cas.rst","modules/generators_full.rst","modules/hartree_fock.rst","modules/iterations.rst","modules/kohn_sham.rst","modules/kohn_sham_rs.rst","modules/mo_basis.rst","modules/mo_guess.rst","modules/mo_one_e_ints.rst","modules/mo_two_e_erf_ints.rst","modules/mo_two_e_ints.rst","modules/mpi.rst","modules/nuclei.rst","modules/perturbation.rst","modules/pseudo.rst","modules/psiref_cas.rst","modules/psiref_utils.rst","modules/scf_utils.rst","modules/selectors_cassd.rst","modules/selectors_full.rst","modules/selectors_utils.rst","modules/single_ref_method.rst","modules/tools.rst","modules/utils.rst","modules/zmq.rst","programmers_guide/conventions.rst","programmers_guide/ezfio.rst","programmers_guide/index.rst","programmers_guide/index_providers.rst","programmers_guide/plugins.rst","prog
|