Priyanka Seth
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8dc42b08ae
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[doc] New documentation
* restructuring
* added user reference
* started working on user guide
* added schematic to structure
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2015-04-21 14:31:15 +02:00 |
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Priyanka Seth
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3c6b3e3093
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Fix typo in routine name convert_dmft_input
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2014-12-09 12:26:00 +01:00 |
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Priyanka Seth
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ff6dd7ce73
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[API] Changed form of shells and corr_shells to list of dicts.
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2014-11-26 17:37:57 +01:00 |
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Priyanka Seth
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88f4105e5b
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Renamed everything from 'lda' to 'dft'
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2014-11-18 11:44:14 +01:00 |
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Priyanka Seth
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5eaa27a946
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Merge simple_point_dens_mat and density_gf into a single function density_matrix
density_matrix takes as argument method == using_gf or using_point_integration
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2014-11-16 18:08:54 +01:00 |
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Priyanka Seth
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518cbccd8c
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Write shell equivalency information directly into h5 at conversion
* changed shellmap and invshellmap to corr_to_inequiv and inequiv_to_corr
* update_archive now calculates and stores these quantities for old archives
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2014-11-16 18:03:53 +01:00 |
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Priyanka Seth
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628f774234
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Tidy up of trans_basis
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2014-11-16 18:03:53 +01:00 |
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Priyanka Seth
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88d3784c20
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Remove all instances of map, map_inv, map_ind
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2014-11-16 18:03:52 +01:00 |
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Priyanka Seth
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2126541774
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Use solver_to_sumk and solver_to_sumk_block instead of previous maps
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2014-11-16 16:00:20 +01:00 |
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Priyanka Seth
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01eaad306a
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Rename gf_struct_corr to gf_struct_sumk
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2014-11-14 11:26:21 +01:00 |
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Priyanka Seth
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6708788ed7
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Variable name changes for clarity and consistency
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2014-11-14 09:43:59 +01:00 |
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Priyanka Seth
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f36e6277d5
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Replaced "== None" with "is None" for other py files
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2014-11-14 09:41:02 +01:00 |
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Priyanka Seth
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abd087e674
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Tidying up
* Replace <<= with <<
* Reordering in put_Sigma
* Remove all instances of wien2triqs in doc
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2014-11-05 15:55:55 +01:00 |
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Priyanka Seth
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906398894a
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Changes to old interface files to comply with new gf_struct
Minor tidy-up too.
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2014-09-22 19:27:27 +02:00 |
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aichhorn
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e10c48e106
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Added first draft of general converter to handle general H(k)
Added also routine to rotate basis sets
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2014-04-02 17:54:31 +02:00 |
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