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ao_basis
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Documentation
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2019-01-02 23:04:13 +01:00 |
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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 |
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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 |
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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 |
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aux_quantities
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renaming massive on one e density
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2019-01-09 19:16:58 +01:00 |
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becke_numerical_grid
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Toto (#84)
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2019-01-02 21:48:54 +01:00 |
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bitmask
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A lot of renaming
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2019-01-05 01:58:19 +01:00 |
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cipsi
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Better estimate of the PT2 memory
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2019-01-09 11:49:08 +01:00 |
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cis
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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 |
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cisd
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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 |
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davidson
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
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davidson_dressed
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README
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2018-12-28 19:12:53 +01:00 |
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davidson_undressed
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README
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2018-12-28 19:12:53 +01:00 |
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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 |
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determinants
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-11 19:58:21 +01:00 |
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dft_keywords
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A lot of renaming
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2019-01-05 01:11:55 +01:00 |
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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 |
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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 |
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dressing
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
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dummy
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Shortened tests for Travis
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2019-01-07 00:25:08 +01:00 |
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electrons
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README
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2018-12-28 19:12:53 +01:00 |
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ezfio_files
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A lot of renaming
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2019-01-05 01:11:55 +01:00 |
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fci
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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 |
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generators_cas
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README
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2018-12-28 19:12:53 +01:00 |
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generators_full
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README
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2018-12-28 19:12:53 +01:00 |
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hartree_fock
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Command_line.ml
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2019-01-11 19:10:12 +01:00 |
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iterations
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Fixed fci
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2019-01-08 19:02:04 +01:00 |
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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 |
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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 |
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mo_basis
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
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mo_guess
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Rename one_e and two_e
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2019-01-05 02:58:15 +01:00 |
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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 |
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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 |
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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 |
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mpi
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README
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2018-12-28 19:12:53 +01:00 |
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nuclei
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Cleaned dgemm
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2019-01-07 11:30:48 +01:00 |
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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 |
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pseudo
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README
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2018-12-28 19:12:53 +01:00 |
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psiref_cas
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README
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2018-12-28 19:12:53 +01:00 |
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psiref_utils
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README
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2018-12-28 19:12:53 +01:00 |
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scf_utils
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Toto (#89)
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2019-01-09 16:01:56 +01:00 |
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selectors_cassd
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README
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2018-12-28 19:12:53 +01:00 |
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selectors_full
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README
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2018-12-28 19:12:53 +01:00 |
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selectors_utils
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Documentation
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2019-01-02 23:04:13 +01:00 |
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single_ref_method
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README
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2018-12-28 19:12:53 +01:00 |
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tools
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Merge branch 'toto' of github.com:eginer/quantum_package
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2019-01-11 19:58:21 +01:00 |
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utils
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README
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2018-12-28 19:12:53 +01:00 |
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zmq
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Shortened tests for Travis
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2019-01-07 00:25:08 +01:00 |
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README.rst
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Toto (#83)
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2018-12-28 19:41:11 +01:00 |
