Malte Schüler
1ea40bbccc
trivial commit for testing
2019-07-03 08:12:18 +02:00
Nils Wentzell
1ececb7a4b
[cmake] Bump Version number and triqs requirement to 2.2.0
2019-07-02 10:54:38 -04:00
Nils Wentzell
3807534ef8
Fix in dos_tetra_weights_3d: return array<..> instead of array_view<..>
...
-In triqs version 2.2 array_views no longer own the memory they point to
This means that array variables that are local to a function should always
be returned as arrray and never as an array_view
2019-07-02 10:49:35 -04:00
Malte Schüler
1fc15390d6
plovasp: implemented csc for hk format
2019-07-02 14:06:12 +02:00
Malte Schüler
8f5722a98e
changed vasp_converter test such that hdf5 files include proj_or_hk flag
2019-07-02 11:10:08 +02:00
Malte Schüler
2dda711aed
plovasp: fixed some bugs for multiple ions per shell
2019-07-02 11:00:21 +02:00
Malte Schüler
d2263ae3d5
removed corr again from test files for backward compatibility
2019-07-01 11:36:56 +02:00
Malte Schüler
23e15abb66
removed corr and ion_list from shell in h5
2019-07-01 11:34:34 +02:00
Malte Schüler
251e3c16f3
added 'corr' flag to tests of converter
2019-07-01 11:29:00 +02:00
Malte Schüler
e9fd33dffb
plovasp: vasp_converter can now deal with H(k) and uncorrelated shells. Removed correleated shells and irrep from H(k) header.
2019-07-01 10:51:33 +02:00
Malte Schüler
3666518bdf
added corr flag to vasp_converter
2019-06-28 15:14:12 +02:00
Malte Schüler
1dd7552529
plovasp: added documentation and tests
2019-06-28 14:47:15 +02:00
Malte Schüler
29cfe8f711
plovasp: documentation and cleaning
2019-06-27 16:26:22 +02:00
Malte Schüler
96a6891f64
plovasp: first working version of H(k) and complement
2019-06-27 15:21:07 +02:00
Malte Schüler
90de1f3ab6
plovasp: added new input flags. Implemented band selection. Finished implementing corr.
2019-06-27 09:05:04 +02:00
Manuel
f0f998616e
wien2k_converter: read up or dn pmat and oubwin file if SO=1
2019-06-26 14:19:18 -04:00
Philipp D
c3114e313a
[cmake] streamline top-level cmake
...
* enforces major.minor version check against triqs
* adds header boilerplate
* minor cleaning
2019-06-26 13:56:56 -04:00
Nils Wentzell
d02eff9ce3
[cmake] Consistently use PROJECT_SOURCE_DIR over CMAKE_SOURCE_DIR
2019-06-26 11:35:52 -04:00
Nils Wentzell
b0bb95d61e
[cmake] Use PROJECT_VERSION as defined through project(..) over APP4TRIQS_VERSION
2019-06-26 11:35:20 -04:00
Nils Wentzell
24f49da39c
[cmake] Do not enable compiler warnings globally but instead through an interface target
2019-06-26 11:06:12 -04:00
Nils Wentzell
162bf1a482
[travis] Build triqs in debug mode, build only with two cores
2019-06-26 10:55:03 -04:00
Manuel
7946e548a2
Fix SO/SP in reading pmat and oubwin files
2019-06-14 11:18:58 -04:00
Manuel
5bb1d34459
SO/SP error in reading pmat and oubwin files
2019-06-14 11:08:12 -04:00
aichhorn
10e0143413
make total_density in calc_mu a real number
2019-06-13 16:06:00 +02:00
aichhorn
ba47c6a206
remove some bugs in the SrVO3 tutorial
2019-06-11 17:41:43 +02:00
aichhorn
d70b74831a
Merge branch 'unstable' of https://github.com/TRIQS/dft_tools into unstable
2019-06-11 17:22:50 +02:00
aichhorn
06273aff93
remove old reference to path_to_triqs from install.rst
2019-06-11 17:21:51 +02:00
Nils Wentzell
555084f149
Update links in README.md
2019-06-11 17:19:54 +02:00
Nils Wentzell
fdc34c4d06
Update links in README.md
2019-06-11 17:19:27 +02:00
Nils Wentzell
53e4f257e8
[travis] Add build-passing status image to README
2019-06-05 11:29:17 -04:00
Nils Wentzell
eca87051cb
[travis] Fix llvm setup in .travis file, enable clang build
2019-06-05 10:56:50 -04:00
Nils Wentzell
93856f9440
Minor rewording in readme
2019-06-05 10:52:43 -04:00
Nils Wentzell
3676be09db
Add issue templates for bug and feature request
2019-05-22 17:25:28 -04:00
Nils Wentzell
5fda45520c
[doc] Keep toctree (depth2) in index.rst
2019-05-22 16:50:43 -04:00
Manuel
64d9215dd0
Bring install.rst in line with other applications
2019-05-16 18:20:18 -04:00
Manuel Zingl
2fea75133b
Merge pull request #114 from egcpvanloon/patch-1
...
Update install.rst: add missing cmake command
2019-05-16 18:13:36 -04:00
egcpvanloon
ac33d05faf
Update install.rst: add missing cmake command
2019-05-06 14:28:29 +02:00
Dylan Simon
9501814975
[jenkins] skip empty packaging commits
...
No use in doing an extra rebuild
2019-05-02 13:42:36 -04:00
Dylan Simon
81c1a4aa14
[jenkins] allow packaging module to be triqs_*
...
Use triqs_PKG if it exists, otherwise PKG
2019-04-29 14:51:15 -04:00
Dylan Simon
876f1a27f2
[jenkins] Rename docker repo to packaging
2019-04-29 14:39:39 -04:00
Dylan Simon
debb784431
[jenkins] Rename docker repo to packaging
2019-04-29 11:55:14 -04:00
Nils Wentzell
ff6ff34be8
[doc] Install doc files to share/doc/triqs_dft_tools
2019-04-26 15:08:57 -04:00
Dylan Simon
883111d3a9
[jenkins] update submodule name in docker check
2019-04-26 14:34:54 -04:00
Nils Wentzell
31d6199c90
[doc] Fix github logo
2019-04-26 14:34:20 -04:00
Nils Wentzell
a1ecfd883f
[cmake] Prepare packaging for 2.1.0 release
2019-04-26 14:25:58 -04:00
Nils Wentzell
c492078f77
[doc] Major cleaning of doc targets and CMakeLists.txt
2019-04-26 12:40:44 -04:00
Nils Wentzell
c387828bd2
[cmake] Important path/variable fixes in cmake-generated files
2019-04-26 10:24:46 -04:00
Nils Wentzell
219bd830a5
[doc] Minor cleanings of app4triqs doc examples
2019-04-26 10:23:58 -04:00
Nils Wentzell
1d2e845f66
[doc] Disable copy of rst-files to binary dir
2019-04-26 10:20:06 -04:00
Nils Wentzell
aff1c3fdec
Update License file initially copied from triqs project
2019-04-26 10:00:58 -04:00
