LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-26 22:33:48 +01:00
Code Issues Releases Wiki Activity
1,259 Commits 10 Branches 21 Tags 87 MiB
143fde4b2c
Commit Graph

1259 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
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
Dylan Simon
a42838a8db [jenkins] Add CTEST_OUTPUT_ON_FAILURE=1 2018-11-29 14:20:35 -05:00
Nils Wentzell
16fe4b2eab Minor correction to 759bb9d 2018-11-29 10:46:57 -05:00
Nils Wentzell
e61c3a7851 [jenkins] Adjust CMAKE_PREFIX_PATH after recent triqs update 2018-11-28 14:39:36 -05:00
Nils Wentzell
0335e53adf Adjust cmake-related install dirs to more standard directories 2018-11-28 13:02:26 -05:00
Nils Wentzell
837c886e60 [cmake] Minor fix in Findlibasan_rt.cmake 2018-11-26 18:33:03 -05:00
Nils Wentzell
aef818bc28 add float-cast-overflow and float-divide-by-zero to ubsan checks 2018-11-26 12:04:35 -05:00
Nils Wentzell
9e442be0e0 Always export compile commands to json file 2018-11-26 12:03:54 -05:00
Nils Wentzell
002642f97c Change standard install path of cmake files 2018-11-21 16:59:19 -05:00
Nils Wentzell
759bb9da1d Fix the sanitizers for MacOs 2018-11-21 16:52:55 -05:00
Nils Wentzell
46cbea69d9 [cmake] Enable CMP0074, adjust if(obj) statements 2018-11-20 17:53:10 -05:00
Nils Wentzell
bd0f4f64ec [doc] Update and add website logos 2018-11-01 14:06:59 -04:00
Nils Wentzell
24d619b8be [cmake] Add Debug flags, Update Triqs version, optional tests 2018-10-11 17:17:53 -04:00
Nils Wentzell
9f03870f26 [cmake] Use CPLUS_INCLUDE_PATH over CPATH to favor -isystem includes 2018-10-11 17:17:12 -04:00
Gernot J. Kraberger
9076baf9d6 sumk_dft: split transform_to_sumk_blocks from put_Sigma 
this is done in a backward-compatible manner
 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
d8a2693123 block_structure: introduce space parameter 
in methods convert_gf, create_gf, check_gf
 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
ef979199af sumk_dft: split transform_to_solver_blocks from extract_G_loc 
this is done in a backward-compatible manner
 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
d0f0c20865 change isinstance for new TRIQS 
this fixes test analyse_block_structure_from_gf
 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
f0de5c62b5 block_structure: add gf_struct_***_list and _dict 
now sumk is given in the list format and
solver is given in the dict format
 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
2b490d1485 block_structure: convert_gf: add G_out, let G_struct be sumk 2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
6c908e9c6e block_structure: add check_gf method 2018-10-08 21:29:49 +02:00
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
Nils Wentzell
e95982c906 Merge branch 'unstable' 2018-09-17 15:01:06 -04:00
Nils Wentzell
548993e1d0 [doc] Update website logos 2018-09-17 15:00:54 -04:00
Nils Wentzell
afe06474ff [cmake] Fix python environment for doc generation 2018-09-17 15:00:40 -04:00
Dylan Simon
de2792361e jenkins: fix typo in email alert 2018-09-17 13:41:37 -04:00
Nils Wentzell
73642c01a0 [doc] Update website logos 2018-09-12 11:29:47 -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
Nils Wentzell
af8f3ad824 Minor fixes and adjustments 2018-08-30 18:07:35 -04:00
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
331bbc8068 [jenkins] move docs to separate gh-pages repo 2018-06-22 11:15:27 -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
Dylan Simon
6d2a788ed3 [jenkins] Support brew installed in other places 2018-06-08 10:40:39 -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