LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-01 03:33:50 +01:00
Code Issues Releases Wiki Activity
556 Commits 10 Branches 21 Tags 85 MiB
ef9919c0f6
Commit Graph

556 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
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
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