Alexander Hampel
c92e814211
added missing info for marking equivalent sites
2020-03-27 18:00:32 -04:00
aichhorn
b647762349
Merge branch 'merge_vasp2dmft' into unstable
2020-02-17 15:19:58 +01:00
aichhorn
17592fe769
Revert "Extended the documentation for the VASP interface, with more precise statements about the actual implementation."
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This reverts commit 6cedb8aaaa
2020-02-17 15:19:30 +01:00
Alexander Hampel
25b76e567e
implemented changes requested by @opeil
2020-01-30 14:12:07 -05:00
Alexander Hampel
cf6789fd97
changes to VASP CSC calculations in doc.
2020-01-03 11:01:08 +01:00
Malte Schueler
13252201e3
minor improvments in plovasp documentation
2019-12-20 10:51:58 +01:00
Alexander Hampel
18abc77e33
SVO tutorial finalized, added remarks on VASP version in VASP interface guide, added CSC guide, small typo corrections in other files
2019-12-04 19:19:22 -05:00
Alexander Hampel
e26444201a
Updated reference documentation for PLOVASP classes and functions.
2019-12-04 12:32:00 -05:00
Alexander Hampel
4d50e41135
First part of revamping the VASP interface documentation. Rewrote the interface with VASP guid. Removed the unused doc/vasp/* files. Start for SVO VASP tutorial as ipynb
2019-12-03 19:29:09 -05:00
Alexander Hampel
6cedb8aaaa
Extended the documentation for the VASP interface, with more precise statements about the actual implementation.
2019-11-05 11:40:23 -05:00
Manuel
2d491050cc
[doc] Make doc around .indmftpr clear (issue #122 )
2019-08-26 13:19:14 -04:00
Malte Schüler
a882ffa575
work in NiO tutorial
2019-07-08 09:55:22 +02:00
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
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* 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'
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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
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-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
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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
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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
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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
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* 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
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* 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
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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
