LCPQ
/
dft_tools
mirror of https://github.com/triqs/dft_tools
3
0
Fork 0
Code Issues Releases Wiki Activity
603 Commits 16 Branches 19 Tags 81 MiB
Commit Graph

57 Commits

Author SHA1 Message Date
Manuel 2d491050cc [doc] Make doc around .indmftpr clear (issue #122) 2019-08-26 13:19:14 -04:00
Oleg E. Peil 072011133b docs(plovasp): add various fxies to PLOVasp documentation 2018-12-12 14:18:29 +01:00
Oleg E. Peil c4028dcbd9 docs(conv_vasp): add reference and link to PLO formalism in VASP 2018-12-12 14:16:54 +01:00
Manuel a8c7569830 change del to with when reading hdf 2018-12-06 17:28:49 -05:00
Manuel 85c8c2b58c [doc] minor fixes 2018-12-04 16:24:26 -05:00
aichhorn b14e802859 (doc) New structure for the converter tools doc 2018-12-04 12:54:29 -05:00
aichhorn 9cf4521fec new structure for doc 2018-12-04 12:54:29 -05:00
Oleg E. Peil ef9919c0f6 docs (plovasp): small fixes in PLOVasp docs 2018-12-04 12:54:29 -05:00
Oleg E. Peil 9081ce634c docs (conversion): update VASP-conversion documentation 2018-12-04 12:54:29 -05:00
Manuel dfa10dffda [doc] Modifications and corrections 
* Adapt the AC parts to the new TRIQS/maxent package
	* Restructure the explaination on how to run the scripts
	* Corrections of many typos and pytriqs occurences.
 2018-09-20 00:32:33 -04:00
Manuel ba0cfa9013 Add doc to VASP converter concerning block structure 2018-07-09 10:50:36 -04:00
Manuel 2af2bac8d6 Commenting parts of SVO examples because issue #98 is not fixed. 2018-07-03 15:48:39 -04:00
Manuel 8a53a80e1e Fix a few documentation issue of the VASP converter 2018-07-03 14:44:03 -04:00
Manuel e187958774 Fix issue #99 2018-06-26 15:05:05 -04:00
Manuel 9782be2c93 Fix issue #97 2018-06-25 14:21:39 -04:00
Dylan Simon 96fea4389b [doc] Update old link to hubbardI to github 2018-06-25 10:23:30 -04:00
Nils Wentzell 2632f2c87f [doc] Update of install instructions, added changelog 2018-06-04 15:56:47 -04:00
Manuel 8e883f6118 Fix typo in doc example (issue #93) 2018-05-31 09:27:51 -04:00
Nils Wentzell 4a75e3fdc8 Update urls 2018-05-28 09:49:33 -04:00
Nils Wentzell 1bab92c721 Merge tag '1.5' 
Release 1.5
 2018-05-26 23:56:46 +02:00
Nils Wentzell 9d87d0be15 Updating import directives, minor correction to commit 2018-05-01 11:55:31 +02:00
Nils Wentzell 72c7f57110 Fix #89 Adjustments after recent triqs/cthyb gf_struct typechange 
-Adjust gf_struct keyword argument of CTHyb from dict : str -> indices
to list of pairs: [ [str, indices], ... ] in accordance with
recent cthyb/triqs changes

-Fix set_operator_structure in srvo3_Gloc.py test accordingly

-TODO: Adjust gf_struct appearences throughout dft_tools accordingly
 2018-04-30 19:05:18 +02:00
Manuel 88bf0fd435 Include thermal conductivity in transp doc 2018-04-30 11:43:58 -04:00
Manuel Zingl 4649b2142c Doc modifications regarding issue #80 2017-10-18 13:11:39 +02:00
Manuel Zingl fff9e36354 Correct Tailfit SrVO3 doc (issue #78) 2017-10-13 13:28:01 +02:00
Oleg Peil 8378013faa Merge branch 'master' into vasp 
Conflicts:
	doc/guide/dftdmft_selfcons.rst
	python/CMakeLists.txt
	python/converters/__init__.py
	python/sumk_dft.py
	test/CMakeLists.txt
 2017-01-27 12:19:03 +01:00
Oleg Peil d76f2d381a Added documentation 
Added documentation on the converter input file.
Added a drafts of the documentation on charge self-consistency.
 2017-01-27 11:39:02 +01:00
Oleg E. Peil 54022c3952 Added docs on PLOVasp 
Added description of the input file and a general section
on the interface.
Also, an example input file for SrVO3 is added.
 2016-12-31 11:12:16 +01:00
Oleg E. Peil 3d4ea99619 Added the first draft of the PLOVasp user guide 2016-09-22 12:39:30 +02:00
Manuel Zingl 71f33af395 [doc] Fix a few links 2016-09-13 15:20:21 +02:00
aichhorn c4b4620b36 Updated documentation of the hk converter 2016-08-29 10:27:33 +02:00
Manuel Zingl 1c29776727 [doc] Restructuring doc II 
* Committing missing files of last commit
    * Correcting typos
    * Modifications according to issue #56
 2016-07-08 12:04:31 +02:00
Manuel Zingl 5c70f1bca0 [doc] Restructured parts of the user guide 
* New page on: What you should know
    * SrVO3 DMFT separated from single-shot page
    * section on tailfit, mixing and restarting calcs
    * correcting typos
 2016-07-07 16:13:37 +02:00
Priyanka Seth 167711a428 [doc] minor fix to make jenkins happy 2016-05-09 10:00:50 +02:00
Gabriele Sclauzero 0d3e59a73c [wannier90] First commit with working version 
Implements the Wannier90 converter, provides related docs and a test
 2016-02-17 12:01:21 +01:00
Manuel Zingl f586c98508 [doc] Correct typos in guide 2016-02-10 09:36:33 +01:00
Manuel Zingl 919e0a3ead [doc] Corrected errors in the Ce example scripts 2016-01-18 11:04:55 +01:00
Manuel Zingl 8cd2a73ae2 [transp] Update doc. 2015-11-09 10:01:37 +01:00
Priyanka Seth f93fd828c0 Added a wrapper function set_Sigma for more standard API 2015-11-02 11:43:53 +01:00
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