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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376d9b3693
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Fix #23 : repack error, add path to hdf5
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2014-11-19 18:50:53 +01:00 |
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Priyanka Seth
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84bd1ed655
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Allow for hdf filename that differs from dft data basename
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2014-11-19 16:38:52 +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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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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a7f2a5096f
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Move repeated converter functions in converter_tools.py
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2014-11-14 09:41:03 +01:00 |
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Priyanka Seth
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8bbbe81c7d
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Converters clean up, new subgroup names
* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
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2014-11-05 15:56:40 +01:00 |
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Priyanka Seth
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9793daf86b
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Change execs to setattr, getattr, etc
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2014-11-05 15:56:33 +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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4fb1f67645
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bugfixes in hk_converter
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2014-04-03 14:34:36 +02:00 |
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aichhorn
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3f5ce764a7
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Added more flexible H(k) reading
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2014-04-02 18:36:48 +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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