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ao_basis
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Documentation
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2019-01-02 23:04:13 +01:00 |
ao_one_e_ints
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Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master
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2019-01-06 20:45:13 +01:00 |
ao_two_e_erf_ints
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
ao_two_e_ints
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
aux_quantities
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renaming massive on one e density
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2019-01-09 19:16:58 +01:00 |
becke_numerical_grid
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Toto (#84)
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2019-01-02 21:48:54 +01:00 |
bitmask
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A lot of renaming
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2019-01-05 01:58:19 +01:00 |
cipsi
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Better estimate of the PT2 memory
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2019-01-09 11:49:08 +01:00 |
cis
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modifs in doc
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2019-01-11 19:37:06 +01:00 |
cisd
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modifs in doc
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2019-01-11 19:37:06 +01:00 |
davidson
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
davidson_dressed
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README
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2018-12-28 19:12:53 +01:00 |
davidson_undressed
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README
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2018-12-28 19:12:53 +01:00 |
density_for_dft
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renaming massive on one e density
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2019-01-09 19:16:58 +01:00 |
determinants
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fixed bugs
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2019-01-11 19:42:53 +01:00 |
dft_keywords
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A lot of renaming
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2019-01-05 01:11:55 +01:00 |
dft_utils_in_r
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more detailed documentation on the doc of the programs
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2019-01-11 16:20:45 +01:00 |
dft_utils_one_e
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more detailed documentation on the doc of the programs
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2019-01-11 16:20:45 +01:00 |
dressing
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
dummy
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Shortened tests for Travis
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2019-01-07 00:25:08 +01:00 |
electrons
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README
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2018-12-28 19:12:53 +01:00 |
ezfio_files
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A lot of renaming
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2019-01-05 01:11:55 +01:00 |
fci
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modifs in doc
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2019-01-11 19:37:06 +01:00 |
generators_cas
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README
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2018-12-28 19:12:53 +01:00 |
generators_full
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README
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2018-12-28 19:12:53 +01:00 |
hartree_fock
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Command_line.ml
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2019-01-11 19:10:12 +01:00 |
iterations
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Fixed fci
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2019-01-08 19:02:04 +01:00 |
kohn_sham
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more detailed documentation on the doc of the programs
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2019-01-11 16:20:45 +01:00 |
kohn_sham_rs
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more detailed documentation on the doc of the programs
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2019-01-11 16:20:45 +01:00 |
mo_basis
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
mo_guess
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
mo_one_e_ints
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fixed rs_ks_scf density
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2019-01-09 18:38:44 +01:00 |
mo_two_e_erf_ints
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
mo_two_e_ints
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
mpi
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README
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2018-12-28 19:12:53 +01:00 |
nuclei
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Cleaned dgemm
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2019-01-07 11:30:48 +01:00 |
perturbation
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Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master
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2019-01-06 20:45:13 +01:00 |
pseudo
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README
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2018-12-28 19:12:53 +01:00 |
psiref_cas
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README
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2018-12-28 19:12:53 +01:00 |
psiref_utils
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README
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2018-12-28 19:12:53 +01:00 |
scf_utils
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
selectors_cassd
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README
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2018-12-28 19:12:53 +01:00 |
selectors_full
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README
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2018-12-28 19:12:53 +01:00 |
selectors_utils
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Documentation
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2019-01-02 23:04:13 +01:00 |
single_ref_method
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README
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2018-12-28 19:12:53 +01:00 |
tools
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modifs in doc
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2019-01-11 19:37:06 +01:00 |
utils
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README
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2018-12-28 19:12:53 +01:00 |
zmq
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Shortened tests for Travis
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2019-01-07 00:25:08 +01:00 |
README.rst
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Toto (#83)
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2018-12-28 19:41:11 +01:00 |