Oleg Peil
0fa24a28ef
Modified ProjectorShell object accordingly
...
* Modified ProjectorShell to retrieve dictionary 'ions' from
the input and construct a list of equivalence classes (ion sorts).
2018-12-04 12:52:02 -05:00
Oleg Peil
7471691219
Added possibility to specify equivalent groups of ions
...
* Added a new input format for the list of ions. It is now possible
to group ions (like this [1 2] [5 6]) that are considered
equivalent in the solver. This has required changing the internal
variable 'ion_list' to a dictionary 'ions' which can later be
enhanced by other features (such as specifying ions by element name).
2018-12-04 12:52:02 -05:00
Dylan Simon
3539ffd336
[jenkins] Add CTEST_OUTPUT_ON_FAILURE=1
2018-11-29 16:01:39 -05:00
Nils Wentzell
e61c3a7851
[jenkins] Adjust CMAKE_PREFIX_PATH after recent triqs update
2018-11-28 14:39:36 -05:00
Nils Wentzell
bd0f4f64ec
[doc] Update and add website logos
2018-11-01 14:06:59 -04:00
Manuel Zingl
f4ad91f8b4
Merge pull request #105 from gkraberger/test_improvements
...
Test improvements
2018-10-04 15:27:11 -04:00
Manuel
dfa10dffda
[doc] Modifications and corrections
...
* 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
Gernot J. Kraberger
e1d54ffcc5
[doc] add build/python to sys.path
2018-09-10 10:56:37 +02:00
Gernot J. Kraberger
6ed84c078f
Add option to measure python test coverage
2018-09-06 15:09:30 +02:00
Gernot J. Kraberger
8f1011e389
change python build directory
...
so that we can use the real include in the tests
2018-09-06 13:48:24 +02:00
Manuel
3f569a810e
Attempt to fix #100
2018-07-10 19:57:05 -04:00
Manuel
ba0cfa9013
Add doc to VASP converter concerning block structure
2018-07-09 10:50:36 -04:00
Manuel
2af2bac8d6
Commenting parts of SVO examples because issue #98 is not fixed.
2018-07-03 15:48:39 -04:00
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
...
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
...
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
...
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
