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f88bbbf11a
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Documentation
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2019-01-07 00:39:54 +01:00 |
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af55bf49a1
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A lot of renaming
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2019-01-05 01:11:55 +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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7688feef8f
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Merge branch 'toto' of git://github.com/eginer/quantum_package into eginer-toto
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2018-12-25 10:36:41 +01:00 |
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Emmanuel Giner
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9dc1408907
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minor modifs in README.rst
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2018-12-22 14:44:19 +01:00 |
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316695726b
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Merge branch 'master' of github.com:scemama/quantum_package
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2018-12-21 18:17:48 +01:00 |
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Emmanuel Giner
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d186d59d40
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poule au pot (#80)
* 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
* cleaning lengthy variables
* split the erf integrals
* added README.rst in hf and ks
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2018-12-21 18:16:18 +01:00 |
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7409eefcc6
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Fixed gitignore
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2018-12-21 17:39:45 +01:00 |
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Emmanuel Giner
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1f4b5e8746
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split the erf integrals
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2018-12-21 16:14:28 +01:00 |
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69f98a8160
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qp_plugins improved
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2018-12-21 12:47:50 +01:00 |
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36f69cdb43
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Renamed integrals
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2018-12-20 16:52:57 +01:00 |
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3b8f0c3338
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Added @eginer's becke_numerical_grid
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2018-12-18 18:14:17 +01:00 |
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ba839928db
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Renaming in lowercase
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2018-12-18 16:11:25 +01:00 |
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8f294a6b80
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More verbose ZMQ errors
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2018-11-28 11:03:10 +01:00 |
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2929828ae3
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Working on doc
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2018-11-26 13:45:32 +01:00 |
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