Manuel
8a53a80e1e
Fix a few documentation issue of the VASP converter
2018-07-03 14:44:03 -04:00
Manuel
ad3a23196a
Replace pytriqs with python.
...
There are still some more occurances of pytriqs.
Is on my list to be checked.
2018-07-02 19:16:50 -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
Dylan Simon
c300fea4ea
[jenkins] move docs to separate gh-pages repo
2018-06-22 11:07:34 -04:00
aichhorn
59e176e64a
updated Wien2k warning in cmake
2018-06-18 11:12:29 +02:00
Dylan Simon
6d55aa7070
[jenkins] Support brew installed in other places
2018-06-08 12:10:58 -04:00
Nils Wentzell
006702252c
[doc] Add missing changelog files, Update compile instructions
2018-06-04 16:40:50 -04:00
Nils Wentzell
2632f2c87f
[doc] Update of install instructions, added changelog
2018-06-04 15:56:47 -04:00
Dylan Simon
67957c3c06
[jenkins] Include .git in docker build for tags
2018-06-01 09:56:24 -04:00
Nils Wentzell
8a4f23e340
[cmake] Dft_tools version detection via git
2018-06-01 09:24:39 -04:00
Dylan Simon
dfb185477a
[cpack] Switch to autogenerated shlib and deps
2018-06-01 09:16:03 -04:00
Manuel
8e883f6118
Fix typo in doc example (issue #93 )
2018-05-31 09:27:51 -04:00
Nils Wentzell
45031b3bfe
[travis] Automatically choose same triqs branch
2018-05-28 09:49:40 -04:00
Nils Wentzell
4a75e3fdc8
Update urls
2018-05-28 09:49:33 -04:00
Nils Wentzell
66b4b1129f
[cmake] update cpp2py / triqs version requirements
2018-05-28 09:38:02 -04:00
Nils Wentzell
22a4b4357b
[travis] Build against triqs master
2018-05-27 12:51:30 -04:00
Nils Wentzell
2468331dc1
Merge branch 'unstable'
2018-05-26 23:57:56 +02:00
Nils Wentzell
1bab92c721
Merge tag '1.5'
...
Release 1.5
2018-05-26 23:56:46 +02:00
Nils Wentzell
cd7d01c4a9
[cmake] Require TRIQS 2.0
2018-05-26 23:54:30 +02:00
Nils Wentzell
cd918159d1
Fix analyze_block_structure test
2018-05-26 23:50:45 +02:00
Manuel
60482613a1
Remove tail from test
2018-05-26 23:50:45 +02:00
Manuel
641dff8d01
Error message fix for wien2k_converter (issue #93 )
2018-05-24 16:51:25 -04:00
Dylan Simon
57840986bc
[cmake] deb pkg works with libgcc1 1:6
...
The default on xenial
2018-05-21 16:04:00 -04:00
Dylan Simon
4ae6571a17
[cmake] Add deb packaging rules
2018-05-21 10:44:01 -04:00
Manuel
d0ea51a1f5
Add make_copies in BlockGf construction.
2018-05-02 16:07:51 -04:00
Manuel
07397ca42e
Merge remote-tracking branch 'gernot/analyze_block_structure_from_gf' into analyze_block_structure_from_gf
2018-05-02 11:40:38 -04:00
Manuel Zingl
3a5848efb4
Merge pull request #88 from TRIQS/thermal_conductivity
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thermal cond. added to conductivity_and_seebeck
2018-05-02 11:06:32 -04:00
Nils Wentzell
5675e5a227
Add travis and clang-format file
2018-05-01 12:02:11 +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
3cfca94b1f
Include kappa in transport test
2018-04-30 11:07:13 -04:00
leonid@cpht.polytechnique.fr
5e17d333ee
thermal cond. added to conductivity_and_seebeck
2018-04-27 12:14:50 +02:00
Gernot J. Kraberger
f8731f1bfe
Fix test
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the testing threshold has to be more generous than the
analyzing threshold
2018-04-03 17:11:59 +02:00
Gernot J. Kraberger
086573950b
bugfix: blocks get added twice
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Whenever both G and G^T support a symmetry,
the block is added twice. This commit prevents that...
2018-03-30 15:46:40 +02:00
Gernot J. Kraberger
2c6149228a
_get_hermitian_quantity_from_gf to avoid code duplication
2018-03-28 16:28:52 +02:00
Dylan Simon
6ef318d4b9
[jenkins] build osx against persistent triqs; dockerhub
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Also sync with app4triqs
2018-03-23 15:35:56 -04:00
Gernot J. Kraberger
8d6d8b53c5
SumkDFT: analyze_block_structure_from_gf for Gf Re/Im Time/Freq
2018-03-19 11:09:31 +01:00
Nils Wentzell
dae191720c
[doc] Updating jenkins and dockerfile after previous commit
2018-03-13 13:29:43 +01:00
Nils Wentzell
a89d558cd6
[doc] Run sphinx against source dir, change option BUILD_DOC -> Build_Documentation
2018-03-13 13:23:52 +01:00
Dylan Simon
73d37c6836
[jenkins] Build docs during ubuntu-clang build
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and publish; copied from triqs docs build, but with different BUILD_DOC
cmake option.
2018-03-07 15:27:16 -05:00
Dylan Simon
c85bed0489
[doc] Link doc files from sources to build dir
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Copied from triqs build; needed for separate compilation
2018-03-07 15:25:34 -05:00
Gernot J. Kraberger
a63169e45f
SumkDFT: check the supplied gf for every shell
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in analyse_block_structure_from_gf and
analyse_deg_shells
2018-03-01 16:09:24 +01:00
Gernot J. Kraberger
318c5a36e7
SumkDFT: adapt symm_deg_gf to work with the new deg_shells
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
69aa894586
analyze_block_structure_from_gf test
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
25218746f4
SumkDFT: analyse_block_structure_from_gf
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
8ebb0c3c29
BlockStructure: finally make the test work
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
a8d86fd198
BlockStructure: fix bug with bool comparison
2018-02-28 14:24:30 +01:00
