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
