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Commit Graph

212 Commits

Author SHA1 Message Date
Priyanka Seth
88f4105e5b Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
Priyanka Seth
518cbccd8c 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
2014-11-16 18:03:53 +01:00
Priyanka Seth
b672839f83 Tidy up of symmetry
*changed map -> orb_map in symmetry to avoid using python keyword
2014-11-16 18:03:53 +01:00
Priyanka Seth
a7f2a5096f Move repeated converter functions in converter_tools.py 2014-11-14 09:41:03 +01:00
Priyanka Seth
8bbbe81c7d Converters clean up, new subgroup names
* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
2014-11-05 15:56:40 +01:00
Priyanka Seth
9793daf86b Change execs to setattr, getattr, etc 2014-11-05 15:56:33 +01:00
Priyanka Seth
906398894a Changes to old interface files to comply with new gf_struct
Minor tidy-up too.
2014-09-22 19:27:27 +02:00
aichhorn
4fb1f67645 bugfixes in hk_converter 2014-04-03 14:34:36 +02:00
aichhorn
3f5ce764a7 Added more flexible H(k) reading 2014-04-02 18:36:48 +02:00
aichhorn
e10c48e106 Added first draft of general converter to handle general H(k)
Added also routine to rotate basis sets
2014-04-02 17:54:31 +02:00
Michel Ferrero
cd650884d3 Clean CMakeLists.txt 2013-08-07 16:30:09 +02:00
Olivier Parcollet
0e585ad9b4 First import. triqs 1.0 alpha1 2013-07-23 20:55:29 +02:00