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 |
|