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563 Commits

Author SHA1 Message Date
Manuel a8c7569830 change del to with when reading hdf 2018-12-06 17:28:49 -05:00
Manuel 85c8c2b58c [doc] minor fixes 2018-12-04 16:24:26 -05:00
Manuel e8303aea2a Fix include in converter test 2018-12-04 12:59:02 -05:00
Manuel d8488efd98 [doc] Remove todos in doc 2018-12-04 12:54:29 -05:00
aichhorn b14e802859 (doc) New structure for the converter tools doc 2018-12-04 12:54:29 -05:00
aichhorn 10018c6aa6 first version of the SrVO3 tutorial / Wien2k version 2018-12-04 12:54:29 -05:00
aichhorn 9cf4521fec new structure for doc 2018-12-04 12:54:29 -05:00
Oleg E. Peil ef9919c0f6 docs (plovasp): small fixes in PLOVasp docs 2018-12-04 12:54:29 -05:00
Oleg E. Peil 9081ce634c docs (conversion): update VASP-conversion documentation 2018-12-04 12:54:29 -05:00
Oleg E. Peil c2dfc3fb6c fix (plovasp tests): remove `pytriqs...` prefix from imports 2018-12-04 12:54:29 -05:00
Oleg Peil a304e0ed36 Fixed bugs in converter tests 2018-12-04 12:52:02 -05:00
Oleg Peil d029aa8e3e Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
Oleg Peil 04e1e86a4b Added test of input of ion equiv groups 2018-12-04 12:52:02 -05:00
Oleg Peil 14f8b1d9e1 Fixed tests affected by recent changes 2018-12-04 12:52:02 -05:00
Oleg Peil 64605e3267 Fixed VaspConverter to read ion sorts properly 2018-12-04 12:52:02 -05:00
Oleg Peil 19ce8a83e8 Modified check and output of projectors to a pg-file 2018-12-04 12:52:02 -05:00
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