Gernot J. Kraberger
e4af7dbd1b
BlockStructure class for manipulating GF structures
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BlockStructure stores gf_struct_solver and gf_struct_sumk
and the mappings between them. It allows to modify it, and
save it to HDF (see issue #67 ).
2016-09-13 11:57:48 +02:00
Manuel Zingl
1c74b71109
Fix sigma_from_file test
2016-05-09 14:13:01 +02:00
Gabriele Sclauzero
0d3e59a73c
[wannier90] First commit with working version
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Implements the Wannier90 converter, provides related docs and a test
2016-02-17 12:01:21 +01:00
Priyanka Seth
8652660115
[tests] Use new testing API
2015-12-12 14:30:45 +01:00
Priyanka Seth
f93fd828c0
Added a wrapper function set_Sigma for more standard API
2015-11-02 11:43:53 +01:00
Priyanka Seth
c2b45180f0
[tests] update h5 files after vector writing change in triqs lib
2015-10-07 12:45:45 +02:00
Manuel Zingl
29d2bf8d50
sigma_from_file changed to read function of gf
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build_sigma_from_txt.py deleted as reading a gf
from a file is now implemented in gf.local.tools
2015-09-17 10:03:07 +02:00
Manuel Zingl
cf7628065b
Some changes in the usage of build_sigma_from_txt.
2015-08-24 14:47:08 +02:00
Manuel Zingl
61747745f4
New test added for build_sigma_from_txt.py
2015-08-21 12:24:54 +02:00
Priyanka Seth
86b1461c52
Moved U_matrix to TRIQS library
2015-06-17 18:19:30 +02:00
Priyanka Seth
ee71d8c7b9
hk_convert: fix test
2015-04-21 15:19:06 +02:00
Priyanka Seth
74b676f841
Clean up of sumk_dft_tools
2015-03-14 20:16:04 +01:00
Manuel Zingl
373764f680
Fix error in transport code, some modifications
2015-02-18 00:27:00 +01:00
Priyanka Seth
4abd04bbee
Modified doc and hk_convert test
2015-02-10 16:27:12 +01:00
Priyanka Seth
3eca36fa35
Remove cthyb dependency in test srvo3_Gloc
2015-02-10 14:28:11 +01:00
Priyanka Seth
54de186ebb
Move oubwin, struct and outputs info into dft_misc_input
2015-02-10 11:55:44 +01:00
Manuel Zingl
e0509ab741
Fix for minor bug, changes in transport test
2015-01-27 20:32:50 +01:00
Priyanka Seth
c1ac9c85c8
Unify notation in sumk_dft_tools.
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You *may* need to run
"pytriqs update_archive.py filename.h5 v1.2"
to update the archive if you have dft_parproj_input is present.
2015-01-22 10:47:53 +01:00
Manuel Zingl
8cb45ddd45
Doc for transport calculations.
2015-01-16 13:55:44 +01:00
Manuel Zingl
b3b199bf40
Restore everything which was lost in rebase.
2014-12-19 11:53:06 +01:00
Manuel Zingl
28d1de87a1
[transport] Fixes a bug in the calculation of A0
2014-12-18 18:23:00 +01:00
Manuel Zingl
14e200d0db
[transport] Remove the storing of results hdf
2014-12-18 18:23:00 +01:00
Priyanka Seth
cc3a9deaa8
[transport] Tidying up, API
2014-12-18 18:21:28 +01:00
Michel Ferrero
93ce1abad0
[transport] Minor fixes, all tests now pass
2014-12-09 17:01:04 +01:00
Manuel Zingl
6f6c8d1c56
[transport] Add transport test to CMakeLists.txt
2014-12-09 17:00:57 +01:00
Manuel Zingl
5c1783f692
[transport] Added new test case for transport code, some other minor changes
2014-12-09 17:00:53 +01:00
Priyanka Seth
be562aa9ac
Fix h5 following library changes
2014-12-09 15:59:46 +01:00
Priyanka Seth
3c6b3e3093
Fix typo in routine name convert_dmft_input
2014-12-09 12:26:00 +01:00
Priyanka Seth
b90e1e80e2
Simplify SK construction
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* recompute maps every time SK called rather than saving them
* user saves and feeds in chemical potential and dc manually
* set_dc sets dc to known values (eg from previous calculations) while calc_dc computes them
* find_mu -> calc_mu to match API for other functions
2014-12-06 21:12:27 +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
84bd1ed655
Allow for hdf filename that differs from dft data basename
2014-11-19 16:38:52 +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
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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
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* 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
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*changed map -> orb_map in symmetry to avoid using python keyword
2014-11-16 18:03:53 +01:00
Priyanka Seth
8bbbe81c7d
Converters clean up, new subgroup names
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* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
2014-11-05 15:56:40 +01:00
Priyanka Seth
cd64a89311
Moved hamiltonians and set_operator_structure to pytriqs/operators.
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Also cleaned up tests accordingly.
2014-09-27 00:10:30 +02:00
Priyanka Seth
2ff1905ce0
Changes to tests
2014-09-24 20:07:14 +02:00
aichhorn
ec21b7bba4
added test for hk converter
2014-04-03 14:37:55 +02:00
aichhorn
243c40899e
cleaned Kanamori interactions and double counting, updated doc accordingly
2014-03-31 18:13:48 +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
