Oleg E. Peil
819fc987f0
Reshuffled files after repository merge
...
The files from the original vasp-interface repository are reshuffled in
accord with the directory structure of dft_tools. Some of the directories,
such as 'test' (unit tests for the interface), 'examples' (simple examples for
the development purposes) are temporarily placed into 'python/vasp' directory
to avoid confusion with integral tests and examples of dft_tools.
2015-10-13 11:27:55 +02:00
Manuel Zingl
0a07681455
Small change to doc and faq added regarding optics
2015-10-12 14:09:03 +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
Leonid Pourovskii
77d9353ef3
small corrections Hub-I tutorial
2014-04-01 16:02:20 +02:00
Leonid Pourovskii
bf1f3c0758
correction in LDADMFTmain.rst
2014-03-31 19:23:13 +02:00
Leonid Pourovskii
17ab0227d1
small changes in doc
2014-03-31 19:17:05 +02:00
aichhorn
243c40899e
cleaned Kanamori interactions and double counting, updated doc accordingly
2014-03-31 18:13:48 +02:00
Leonid Pourovskii
27dd24c490
Documentation and tutorial update
2014-03-28 23:29:06 +01:00
Michel Ferrero
7ae913051a
Update documentation
...
These are changes in the documentation made by Markus. They
should be compatible with the latest version of the triqs
library 1.0.
2014-01-21 17:15:43 +01:00
Michel Ferrero
3d82fafda8
Fix intersphinx problem
...
modified: doc/conf.py.in
2013-09-13 16:09:56 +02:00
Michel Ferrero
13f1e1ae93
Change github path
2013-09-09 17:26:59 +02:00
Michel Ferrero
699366fa41
Update the documentation
2013-09-04 16:54:45 +02:00
Olivier Parcollet
64e51cd7d0
updating doc
2013-09-04 16:53:55 +02:00
Olivier Parcollet
de15cf5267
updating doc
2013-09-01 17:56:17 +02:00
Michel Ferrero
640941c326
Add documentation
2013-08-07 16:40:18 +02:00
