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a9191d23b2
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Documentation
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2019-01-02 23:04:13 +01:00 |
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56fd098580
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README
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2018-12-28 19:12:53 +01:00 |
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d292f00154
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gitignore files
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2018-12-25 19:24:43 +01:00 |
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467cbc2fdf
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n_states=1 in fci test
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2018-12-25 18:43:30 +01:00 |
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a058a35204
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Fixed tests
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2018-12-25 18:19:06 +01:00 |
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e4b1f333dc
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Updated tests
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2018-12-25 10:55:40 +01:00 |
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3b2a2f66ca
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plugins file in docs
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2018-12-25 10:32:28 +01:00 |
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8b959ec696
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Moved bats files and added qp_test. Need to change travis
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2018-12-21 16:34:04 +01:00 |
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Anthony Scemama
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dbdaeae65a
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Merge with manu (#79)
* added becke_numerical_grid/example.irp.f
* added exemples for determinants and bitmask
* added density_for_dft, dft_keywords and data_energy_and_density
* added dft_utils_one_body
* added dft_utils_two_body and it compilates
* added script_CIPSI_RSH.sh
* rm slave_cipsi
* rm slave_cipsi
* added dft_utils_two_body which works
* added scf_utils
* added slater_rules_mono_bielec.irp.f
* remove integrals_bielec_erf
* hatree_fock is ok with scf_utils
* added kohn_sham_range_separated
* added kohn_sham
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2018-12-21 00:55:43 +01:00 |
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a4344fc41f
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Removed threshold_selectors
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2018-12-19 16:03:21 +01:00 |
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1e2255ac88
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Fixed tests
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2018-12-19 14:33:42 +01:00 |
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cea7813857
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Added files
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2018-12-18 17:06:21 +01:00 |
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3194178dd2
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Removed uppercases in filenames
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2018-12-18 16:52:15 +01:00 |
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