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
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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
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
Gernot J. Kraberger
3dbc360173
BlockStructure: update test
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
7e82b3eee5
BlockStructure: add deg_shells in str function
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
c1daf2f789
BlockStructure: show warnings only when above threshold
2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
ad2ee87bc7
add deg_shells to block_structure
2018-02-28 14:24:29 +01:00
Nils Wentzell
7599336e55
Fixed a bug in reading scale from POSCAR in PLOVasp
2018-02-23 10:30:16 +01:00
Nils Wentzell
78000328f1
[Tests] Remove spaces for string comparison due to different Osx Output format
2018-02-23 10:27:20 +01:00
Nils Wentzell
9731668cae
Fix #84 updating test ref file after bugfix 974aa08
2018-02-23 10:27:10 +01:00
Dylan Simon
1a4f161ea4
[jenkins] Add email alerts on failure
2018-02-22 17:48:32 -05:00
Dylan Simon
0a84f48e43
[jenkins] Build PRs against upstream target branch
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cleanup unused image tags; may want to switch away from Dockerfile to an
explicit container run at some point.
2018-02-22 14:16:45 -05:00
Nils Wentzell
4dc6aa513b
[Tests] Remove spaces for string comparison due to different Osx Output format
2018-02-22 12:02:22 +01:00
Dylan Simon
d7df10d95d
[jenkins] add osx builds using triqs zip artifact
2018-02-14 17:50:41 -05:00
Nils Wentzell
586958eea9
Fixing install of python files after cmake changes
2018-02-14 16:22:11 -05:00
Nils Wentzell
0f704272f0
Merge pull request #85 from TRIQS/jenkins
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Fix use of numpy.full on older numpy
2018-02-14 09:48:37 -05:00
Dylan Simon
91ce2eef4b
Fix use of numpy.full on older numpy
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Was failing test srvo3_transp on centos:
File "/home/build/dft_tools/python/sumk_dft_tools.py", line 947, in <dictcomp>
for direction in self.directions}
AttributeError: 'module' object has no attribute 'full'
2018-02-13 15:42:09 -05:00
Dylan Simon
64a45510c8
[jenkins] add triqs-docker-based linux builds
2018-02-12 14:11:41 -05:00
Manuel
1158e2cacc
Fix installation of python sources in CMakeLists
2018-02-06 16:44:11 -05:00
Nils Wentzell
ca16e77d22
[cmake] Fixing CMakeLists.txt for documentation
2018-02-02 15:56:08 +01:00
Manuel
ef9f37e017
Add C
2018-01-22 20:29:53 -05:00
Manuel
f9cc1b082c
Merge branch '_wip_cmake' into unstable
2018-01-22 19:03:35 -05:00
Olivier Parcollet
a88ea9c469
Fix but 2 tests
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- inpconf due to a silly string comparion issue
- vaspio ??
2018-01-22 17:49:04 -05:00
Olivier Parcollet
1a0ba43f8d
Continued
2018-01-22 17:37:27 -05:00
