Nils Wentzell
|
9d87d0be15
|
Updating import directives, minor correction to commit
|
2018-05-01 11:55:31 +02:00 |
|
Olivier Parcollet
|
d7d720141e
|
Port to new Python interface for Gf
- Minor changes
- tests are ok
|
2017-04-06 09:25:17 +02:00 |
|
Priyanka Seth
|
390e8564b7
|
Minor clean up, pep-ified to allow doc compilation to run smoothly
|
2016-05-09 10:19:56 +02:00 |
|
Priyanka Seth
|
8dc42b08ae
|
[doc] New documentation
* restructuring
* added user reference
* started working on user guide
* added schematic to structure
|
2015-04-21 14:31:15 +02:00 |
|
Priyanka Seth
|
3c6b3e3093
|
Fix typo in routine name convert_dmft_input
|
2014-12-09 12:26:00 +01:00 |
|
Priyanka Seth
|
ff6dd7ce73
|
[API] Changed form of shells and corr_shells to list of dicts.
|
2014-11-26 17:37:57 +01:00 |
|
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
|
628f774234
|
Tidy up of trans_basis
|
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
|
2126541774
|
Use solver_to_sumk and solver_to_sumk_block instead of previous maps
|
2014-11-16 16:00:20 +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
|
f36e6277d5
|
Replaced "== None" with "is None" for other py files
|
2014-11-14 09:41:02 +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 |
|
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
|
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 |
|