Dylan Simon
73d37c6836
[jenkins] Build docs during ubuntu-clang build
...
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
Manuel
76dff0f5a2
find lapack
2018-01-22 17:36:21 -05:00
Olivier Parcollet
ae548d48da
WIP
2017-12-07 15:56:05 +01:00
Gernot J. Kraberger
78b8b1d0ee
Fix default value of filename in calc_density_correction
2017-10-24 09:57:32 +02:00
Gernot J. Kraberger
d00575632c
Fix default value of filename in calc_density_correction
2017-10-24 09:49:54 +02:00
Manuel Zingl
4649b2142c
Doc modifications regarding issue #80
2017-10-18 13:11:39 +02:00
mzingl
d181378115
Merge pull request #77 from HugoStrand/unstable
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[sumk] gf.N1 deprecation warning fix
2017-10-17 20:03:12 +02:00
Manuel Zingl
e5cd5c5aba
Fix bug in writing qdmft file
2017-10-16 10:15:20 +02:00
Manuel Zingl
3f7b9f6843
Fix bug in writing of qdmft file
2017-10-16 10:12:32 +02:00
Manuel Zingl
fff9e36354
Correct Tailfit SrVO3 doc (issue #78 )
2017-10-13 13:28:01 +02:00
Hugo U. R. Strand
56480d50c5
[sumk] gf.N1 deprecation warning fix
2017-10-04 17:50:20 -04:00
Oleg E. Peil
8f28fcf41f
Fixed issue #75
2017-08-17 16:31:01 +02:00
Oleg E. Peil
974aa08e14
Fixed a bug in reading scale from POSCAR in PLOVasp
2017-04-20 13:58:24 +02:00
Olivier Parcollet
d7d720141e
Port to new Python interface for Gf
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- Minor changes
- tests are ok
2017-04-06 09:25:17 +02:00
Olivier Parcollet
d25bd40560
[plotvasp] Fix #74 compilation error on clang
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- fabs for complex ? It is not defined.
- replaced by std::abs.
- How could the code compile before ?
2017-04-05 21:01:12 +02:00
Markus Aichhorn
c49c82453a
Merge pull request #73 from shinaoka/master
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Fixed bugs. The latest numpy accepts only an integer as an index.
2017-03-18 13:13:34 +01:00
Hiroshi Shinaoka
129ae1e068
Fixed bugs. The latest numpy accepts only an integer as an index.
2017-03-17 21:05:09 +09:00
Oleg E. Peil
20be2e5826
Modified the way group tests compare output
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Instead of comparing text output files the tests are now done
on h5-files. The latter are compared with a finite precision
eliminating thus a problem of platform-dependence of the
results.
2017-02-07 10:33:22 +01:00
Oleg E. Peil
e24933d3fe
Removed obsolete files
2017-02-07 09:47:28 +01:00
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
...
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
776e0a31d1
Fixed a type in POSCAR read routine
2016-12-31 14:55:25 +01:00
