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dft_tools
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380 Commits

Author SHA1 Message Date
Priyanka Seth f36e6277d5 Replaced "== None" with "is None" for other py files 2014-11-14 09:41:02 +01:00
Priyanka Seth 3b74a5c80a Added dmft_output to clear_lda_output.py 2014-11-14 09:41:02 +01:00
Priyanka Seth 1e4b103ba7 Fix in reading in sumk_lda 2014-11-14 09:41:02 +01:00
Priyanka Seth 948db7744f Fix to update_archive script 2014-11-13 11:43:29 +01:00
Priyanka Seth a2f9690d69 Replaced "== None" with "is None" and similarly for "is not" in U_matrix 2014-11-10 10:39:01 +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 4ae17571a9 Moved out text file reading of Sigma from sumk_lda_tools 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
Priyanka Seth 56162a72bf U_matrix fix 2014-11-02 21:44:17 +01:00
Manuel Zingl 23096e0e76 Current version of transport code (to be deleted later) 2014-10-28 10:22:44 +01:00
Priyanka Seth b459ce7b8c Minor fix to U_matrix 2014-10-19 01:37:30 +02:00
Priyanka Seth cd64a89311 Moved hamiltonians and set_operator_structure to pytriqs/operators. 
Also cleaned up tests accordingly.
 2014-09-27 00:10:30 +02:00
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
Priyanka Seth f803c13285 New files and changes 
* hamiltonians contains functions to create basic hamiltonians
* Us are now computed by a compact python script
* solver_multiband sets up the local problem for LDA+DMFT
 2014-09-22 19:27:19 +02:00
aichhorn 6fadfecf33 added omega_max in the solver initialisation 2014-07-24 09:45:01 +02:00
Michel Ferrero 1fd67d395d Fix typo in solver_multiband.py 2014-05-20 10:39:09 +02:00
aichhorn 4fb1f67645 bugfixes in hk_converter 2014-04-03 14:34:36 +02:00
aichhorn 3f5ce764a7 Added more flexible H(k) reading 2014-04-02 18:36:48 +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
aichhorn 243c40899e cleaned Kanamori interactions and double counting, updated doc accordingly 2014-03-31 18:13:48 +02:00
Leonid Pourovskii 6ac850521f Redefined Kanamori U 2014-03-28 16:40:06 +01:00
Leonid Pourovskii b87ab06061 Small changes in spaghetti 2014-01-22 22:57:18 +01:00
Leonid Pourovskii 8b18315408 Fix spaghetti in sumk_lda_tools 2014-01-21 17:35:12 +01:00
Michel Ferrero 8db8a52eaa Fix bugs in sumk_lda_tools.py 
This is again a merge of Leonid's and Markus' changes.
It must be checked! I had to make some choices!

  modified:   python/sumk_lda_tools.py
 2014-01-21 17:15:35 +01:00
Michel Ferrero 2d5cf0abc7 Fix bugs in sumk_lda.py 
This is a merge of fixes by Markus and Leonid. Hopefully it's OK.

  modified:   python/sumk_lda.py
 2014-01-21 16:25:44 +01:00
Michel Ferrero cd650884d3 Clean CMakeLists.txt 2013-08-07 16:30:09 +02:00
Olivier Parcollet 319b8ea8ec Correction for ctqmc solver name + init.py files 2013-07-24 07:53:05 +02:00
Olivier Parcollet 0e585ad9b4 First import. triqs 1.0 alpha1 2013-07-23 20:55:29 +02:00