Alexander Hampel
a1209f8a53
renamed converters from app_converter.py to app.py
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* adapted all occurences of the converter script file names including
the doc files
* fixed one failing test: Py_basis_transformation.py
2020-06-23 11:13:00 +02:00
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
Alexander Hampel
e26444201a
Updated reference documentation for PLOVASP classes and functions.
2019-12-04 12:32:00 -05:00
Gernot J. Kraberger
ff40e8e0f0
[doc] block_structure: small fixes
2019-07-18 13:56:52 +02:00
Malte Schüler
1eecf80b66
added VaspConverter to reference manual
2019-07-03 13:06:50 +02:00
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
3f569a810e
Attempt to fix #100
2018-07-10 19:57:05 -04:00
Gernot J. Kraberger
e4af7dbd1b
BlockStructure class for manipulating GF structures
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BlockStructure stores gf_struct_solver and gf_struct_sumk
and the mappings between them. It allows to modify it, and
save it to HDF (see issue #67 ).
2016-09-13 11:57:48 +02:00
Priyanka Seth
841f840df5
[doc] fixed paths
2016-05-09 10:19:36 +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
Priyanka Seth
f81be0543e
doc changes following cmake changes
2016-02-04 09:35:42 +01:00
aichhorn
a7cc27cab3
complete rewriting of interface/conversion
2015-08-13 15:27:50 +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
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
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
Priyanka Seth
4abd04bbee
Modified doc and hk_convert test
2015-02-10 16:27:12 +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
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
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* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
2014-11-05 15:56:40 +01:00
aichhorn
8251d76553
First draft of reference manual
2014-10-28 09:38:06 +01:00
