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Commit Graph

13 Commits

Author SHA1 Message Date
Priyanka Seth
88f4105e5b Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
Priyanka Seth
5eaa27a946 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
2014-11-16 18:08:54 +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
88d3784c20 Remove all instances of map, map_inv, map_ind 2014-11-16 18:03:52 +01:00
Priyanka Seth
01eaad306a Rename gf_struct_corr to gf_struct_sumk 2014-11-14 11:26:21 +01:00
Priyanka Seth
6708788ed7 Variable name changes for clarity and consistency 2014-11-14 09:43:59 +01:00
Priyanka Seth
0114562baa Shortened calc_density_correction, more tidying up 2014-11-14 09:41:03 +01:00
Priyanka Seth
a7f2a5096f Move repeated converter functions in converter_tools.py 2014-11-14 09:41:03 +01:00
Priyanka Seth
8d44e5ce91 SumK generated output in new group 'lda_output', cleaning up.
* updated update_archive.py script to move output elements out
* added clear_lda_output.py script to restore state of converter generated h5
2014-11-07 18:01:00 +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
abd087e674 Tidying up
* Replace <<= with <<
* Reordering in put_Sigma
* Remove all instances of wien2triqs in doc
2014-11-05 15:55:55 +01:00