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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 12:03:30 +01:00
qp2/docs/source/modules
2020-12-06 22:58:30 +01:00
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.gitignore Develop (#15) 2019-03-07 16:29:06 +01:00
ao_basis.rst Update documentation 2020-12-06 22:58:30 +01:00
ao_one_e_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
ao_two_e_erf_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
ao_two_e_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
aux_quantities.rst Update documentation and qp_set_frozne_core 2019-05-28 10:23:50 +02:00
becke_numerical_grid.rst Update documentation 2020-12-06 22:58:30 +01:00
bitmask.rst Update documentation and qp_set_frozne_core 2019-05-28 10:23:50 +02:00
cipsi.rst Update documentation 2020-12-06 22:58:30 +01:00
cis.rst Update documentation 2020-12-06 22:58:30 +01:00
cisd.rst Update documentation 2020-12-06 22:58:30 +01:00
davidson_dressed.rst Develop (#15) 2019-03-07 16:29:06 +01:00
davidson_undressed.rst Develop (#15) 2019-03-07 16:29:06 +01:00
davidson.rst Update documentation 2020-12-06 22:58:30 +01:00
density_for_dft.rst Update documentation 2020-12-06 22:58:30 +01:00
determinants.rst Update documentation 2020-12-06 22:58:30 +01:00
dft_keywords.rst Update documentation 2020-12-06 22:58:30 +01:00
dft_one_e.rst Develop (#15) 2019-03-07 16:29:06 +01:00
dft_utils_in_r.rst Updated documentation 2019-06-15 00:20:35 +02:00
dft_utils_one_e.rst Update documentation and qp_set_frozne_core 2019-05-28 10:23:50 +02:00
dressing.rst Develop (#15) 2019-03-07 16:29:06 +01:00
electrons.rst Update documentation 2020-12-06 22:58:30 +01:00
ezfio_files.rst Updated documentation 2019-06-15 00:20:35 +02:00
fci.rst Update documentation 2020-12-06 22:58:30 +01:00
generators_cas.rst Develop (#15) 2019-03-07 16:29:06 +01:00
generators_full.rst Develop (#15) 2019-03-07 16:29:06 +01:00
hartree_fock.rst Update documentation 2020-12-06 22:58:30 +01:00
iterations.rst Update documentation 2020-12-06 22:58:30 +01:00
kohn_sham_rs.rst Update documentation 2020-12-06 22:58:30 +01:00
kohn_sham.rst Develop (#15) 2019-03-07 16:29:06 +01:00
mo_basis.rst Update documentation 2020-12-06 22:58:30 +01:00
mo_guess.rst Develop (#15) 2019-03-07 16:29:06 +01:00
mo_one_e_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
mo_two_e_erf_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
mo_two_e_ints.rst Update documentation 2020-12-06 22:58:30 +01:00
mpi.rst Updated documentation 2019-06-15 00:20:35 +02:00
nuclei.rst Update documentation 2020-12-06 22:58:30 +01:00
perturbation.rst Update documentation 2020-12-06 22:58:30 +01:00
pseudo.rst Develop (#15) 2019-03-07 16:29:06 +01:00
psiref_cas.rst Develop (#15) 2019-03-07 16:29:06 +01:00
psiref_utils.rst Develop (#15) 2019-03-07 16:29:06 +01:00
scf_utils.rst Update documentation 2020-12-06 22:58:30 +01:00
selectors_cassd.rst Develop (#15) 2019-03-07 16:29:06 +01:00
selectors_full.rst Develop (#15) 2019-03-07 16:29:06 +01:00
selectors_utils.rst Develop (#15) 2019-03-07 16:29:06 +01:00
single_ref_method.rst Develop (#15) 2019-03-07 16:29:06 +01:00
tools.rst Update documentation 2020-12-06 22:58:30 +01:00
utils.rst Update documentation and qp_set_frozne_core 2019-05-28 10:23:50 +02:00
zmq.rst Develop (#15) 2019-03-07 16:29:06 +01:00