Alyn James
d4b43ff9f8
spectral routines update
2023-04-14 23:43:23 +01:00
jkarp314
0c4c793a3d
Update LaVO3_w90.inp
2020-06-03 12:35:15 -04:00
Markus Aichhorn
a94f8ed942
Merge pull request #138 from TRIQS/BSrotations
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BlockStructure and rotations
2020-05-13 12:17:15 +02:00
aichhorn
ae5720f75b
added the basic BlockStructure documentation
2020-03-27 11:58:25 +01:00
aichhorn
b647762349
Merge branch 'merge_vasp2dmft' into unstable
2020-02-17 15:19:58 +01:00
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
Manuel
2d491050cc
[doc] Make doc around .indmftpr clear (issue #122 )
2019-08-26 13:19:14 -04:00
aichhorn
9cf4521fec
new structure for doc
2018-12-04 12:54:29 -05:00
Manuel
2af2bac8d6
Commenting parts of SVO examples because issue #98 is not fixed.
2018-07-03 15:48:39 -04:00
Manuel
e187958774
Fix issue #99
2018-06-26 15:05:05 -04:00
Manuel
8e883f6118
Fix typo in doc example (issue #93 )
2018-05-31 09:27:51 -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 Zingl
4649b2142c
Doc modifications regarding issue #80
2017-10-18 13:11:39 +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 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
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
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
919e0a3ead
[doc] Corrected errors in the Ce example scripts
2016-01-18 11:04:55 +01:00
Priyanka Seth
f93fd828c0
Added a wrapper function set_Sigma for more standard API
2015-11-02 11:43:53 +01:00
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
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
Priyanka Seth
8dc42b08ae
[doc] New documentation
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* restructuring
* added user reference
* started working on user guide
* added schematic to structure
2015-04-21 14:31:15 +02:00
