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dft_tools
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62 Commits

Author SHA1 Message Date
Michel Ferrero d99e43161c Add some documentation 2015-10-03 19:23:55 +02:00
aichhorn ec414f40ff bugfixes in the transport doc 2015-10-02 13:47:46 +02:00
Manuel Zingl 31bf191cf8 Update analysis.rst (reading sigma from txt files) 2015-09-17 10:45:09 +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 9935aa552d Adding links to reference manual. Minor updates. 2015-08-20 18:39:30 +02:00
Manuel Zingl 00a775a93d analysis.rst done. Minor change in transport.rst 
I also described how one can read a self energy form a data
        file. However, this needs to be tested and also included
        in the reference manual. Maybe the function should move
        back into sumk_dft_tools!?
 2015-08-20 15:46:14 +02:00
aichhorn 6a50b57c59 Removed bugs and some inconsistencies 2015-08-19 12:11:23 +02:00
Manuel Zingl 5456842824 Update for analysis.rst 
Not done yet...
 2015-08-18 18:56:59 +02:00
aichhorn 66392dfd94 changes in transport part to be compliant with the structure of HDFArchive save/load 2015-08-18 11:10:33 +02:00
aichhorn 3b344f4089 changed HDFArchive statments to avoid problems with TRIQS issue #245. Bugfixes for broken reference links. 2015-08-18 11:01:34 +02:00
Manuel Zingl e5fe091cef analysis.rst half done and some other minor changes 2015-08-17 19:08:05 +02:00
aichhorn 365f77d623 self consistent part updated 2015-08-14 15:12:35 +02:00
aichhorn 5ebedd8d85 removed conversion step from dmft single-shot description 2015-08-14 13:53:40 +02:00
aichhorn 6fff56fe8d new version of single-shot dft+dmft 2015-08-13 16:50:48 +02:00
aichhorn a7cc27cab3 complete rewriting of interface/conversion 2015-08-13 15:27:50 +02:00
aichhorn 495d2c2e63 fix in structure figure 2015-08-13 13:35:40 +02:00
aichhorn c0f91359e2 new fig for structure part 2015-08-13 13:33:18 +02:00
aichhorn 319f3f1aca updated developers list 2015-08-13 11:16:02 +02:00
aichhorn 210be63a32 wrote the structure part 2015-08-13 11:03:25 +02:00
aichhorn c83925e1d8 first draft of dft+dmft intro 2015-08-12 14:49:52 +02:00
aichhorn 91368c7036 updated install page 2015-08-11 16:54:29 +02:00
aichhorn c2e45b468c new welcome page 2015-08-11 13:48:39 +02:00
Priyanka Seth cb792604b1 Replace h_loc -> h_int 2015-06-22 12:37:47 +02:00
Priyanka Seth 86b1461c52 Moved U_matrix to TRIQS library 2015-06-17 18:19:30 +02:00
Priyanka Seth d607f6c641 [doc] Precision on hk input file header 2015-05-18 14:01:32 +02:00
Priyanka Seth f7c2298eed [doc] added another faq 2015-05-04 14:48:22 +02:00
Priyanka Seth b2c3d6ddf6 [doc] added a faq 2015-04-23 11:04:12 +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
Leonid Pourovskii 1df7476c93 [doc] corrections to tutorials 2015-04-02 17:22:09 +02:00
Priyanka Seth 7342e954dd [doc] restructured the h5structure.rst file 2015-03-11 17:41:39 +01:00
Priyanka Seth 9f08ec1d80 [doc] updates 2015-03-11 14:35:28 +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 3b3353e986 [doc] minor changes 2015-02-06 10:24:58 +01:00
Manuel Zingl 8cb45ddd45 Doc for transport calculations. 2015-01-16 13:55:44 +01:00
Manuel Zingl fd7ab682a4 Split conductivity_and_seebeck, cleaning up, doc 2014-12-18 18:23:00 +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 
* 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 be69c7345b Fix save function and call in init 2014-11-19 16:54:13 +01:00
Priyanka Seth 88f4105e5b Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
Priyanka Seth 0bb1a45afb Tidying up 2014-11-14 09:41:03 +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 abd087e674 Tidying up 
* Replace <<= with <<
* Reordering in put_Sigma
* Remove all instances of wien2triqs in doc
 2014-11-05 15:55:55 +01:00
aichhorn 8251d76553 First draft of reference manual 2014-10-28 09:38:06 +01:00
Priyanka Seth 8e08a58a81 Changes to doc 2014-09-24 20:07:08 +02:00
Michel Ferrero bc2f470d21 Remove wrong save_Gf in doc 2014-06-02 11:07:50 +02:00
Leonid Pourovskii 931678f1e7 another small change in advanced example 2014-05-30 02:12:43 +02:00
Leonid Pourovskii 90e2379195 advanced example in docs corrected 2014-05-30 02:07:07 +02:00
Michel Ferrero c11a85ffd6 Fix for issue #9 
The documentation has been updated: run_para -> run_triqs
 2014-05-20 18:04:43 +02:00