Anthony Scemama d1c324d8f3 Toto (#85) ... * minor changes in README.rst of many src files * added ROHF_b2.gms.out * modified some scripts * modified README.rst * modifs in docs/intro * added qp_e_conv_fci * changed the doc * added some README.rst * modifs in docs * introduced the sgn grids * added 21.rsks.bats * added EZFIO.cfg		2019-01-03 14:52:58 +01:00
..
.gitignore	auto_generate providers in doc	2018-11-25 14:59:02 +01:00
ao_basis.rst	Documentation	2019-01-02 23:04:13 +01:00
ao_one_e_integrals.rst	Documentation	2019-01-02 23:04:13 +01:00
aux_quantities.rst	Documentation	2019-01-02 23:04:13 +01:00
becke_numerical_grid.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
bitmask.rst	Documentation	2019-01-02 23:04:13 +01:00
cis.rst	Added modules	2018-12-28 19:50:28 +01:00
cisd.rst	Added modules	2018-12-28 19:50:28 +01:00
davidson_dressed.rst	Added modules	2018-12-28 19:50:28 +01:00
davidson_undressed.rst	Added modules	2018-12-28 19:50:28 +01:00
davidson.rst	Documentation	2019-01-02 23:04:13 +01:00
density_for_dft.rst	Toto (#84)	2019-01-02 21:48:54 +01:00
determinants.rst	Documentation	2019-01-02 23:04:13 +01:00
dft_keywords.rst	Documentation	2019-01-02 23:04:13 +01:00
dft_utils_one_e.rst	Documentation	2019-01-02 23:04:13 +01:00
dressing.rst	Added modules	2018-12-28 19:50:28 +01:00
electrons.rst	Added modules	2018-12-28 19:50:28 +01:00
ezfio_files.rst	Documentation	2019-01-02 23:04:13 +01:00
fci.rst	Documentation	2019-01-02 23:04:13 +01:00
generators_cas.rst	Added modules	2018-12-28 19:50:28 +01:00
generators_full.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
hartree_fock.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
iterations.rst	Added modules	2018-12-28 19:50:28 +01:00
kohn_sham_rs.rst	Documentation	2019-01-02 23:04:13 +01:00
kohn_sham.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
mo_basis.rst	Documentation	2019-01-02 23:04:13 +01:00
mo_guess.rst	Added modules	2018-12-28 19:50:28 +01:00
mo_one_e_integrals.rst	Documentation	2019-01-02 23:04:13 +01:00
mo_two_e_erf_integrals.rst	Documentation	2019-01-02 23:04:13 +01:00
mo_two_e_integrals.rst	Documentation	2019-01-02 23:04:13 +01:00
mpi.rst	Added modules	2018-12-28 19:50:28 +01:00
nuclei.rst	Added modules	2018-12-28 19:50:28 +01:00
perturbation.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
pseudo.rst	Added modules	2018-12-28 19:50:28 +01:00
psiref_cas.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
psiref_utils.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
scf_utils.rst	Documentation	2019-01-02 23:04:13 +01:00
selectors_cassd.rst	Added modules	2018-12-28 19:50:28 +01:00
selectors_full.rst	Added modules	2018-12-28 19:50:28 +01:00
selectors_utils.rst	Documentation	2019-01-02 23:04:13 +01:00
single_ref_method.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
slave.rst	Added modules	2018-12-28 19:50:28 +01:00
tools.rst	Toto (#85)	2019-01-03 14:52:58 +01:00
utils.rst	Documentation	2019-01-02 23:04:13 +01:00
zmq.rst	Added modules	2018-12-28 19:50:28 +01:00