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 |
|
Olivier Parcollet
|
038b41bd47
|
minor
|
2019-04-25 15:48:58 -04:00 |
|
Nils Wentzell
|
f9415b7385
|
Minor Corrections to PR #3
|
2019-04-25 14:26:36 -04:00 |
|
Hugo U. R. Strand
|
8529bc164a
|
[doc] add contents.rst and documentation.rst
The upper doc link was broken, it expected a documentation.rst to exist.
Small polish of text.
|
2019-04-25 13:56:12 -04:00 |
|
Hugo U. R. Strand
|
171dbcdecf
|
[doc] install and first page + github logo
|
2019-04-25 13:56:12 -04:00 |
|
Nils Wentzell
|
a113230ffe
|
[cmake] Avoid use of list(FILTER ..) to restore cmake version 3.0.2 compatibility
|
2019-04-25 13:54:23 -04:00 |
|
Nils Wentzell
|
e03eb002cf
|
[cmake] docs_sphinx target should depend on generated module due to autodoc usage, Fix #2
|
2019-04-25 13:53:33 -04:00 |
|