Alexander Hampel
|
e26444201a
|
Updated reference documentation for PLOVASP classes and functions.
|
2019-12-04 12:32:00 -05:00 |
|
Alexander Hampel
|
4d50e41135
|
First part of revamping the VASP interface documentation. Rewrote the interface with VASP guid. Removed the unused doc/vasp/* files. Start for SVO VASP tutorial as ipynb
|
2019-12-03 19:29:09 -05:00 |
|
Nils Wentzell
|
7b8b71e984
|
[cmake] Fix various issues occuring when using a skeleton based app as a subproject
|
2019-12-02 17:53:17 -05:00 |
|
Nils Wentzell
|
7b91cfbbb3
|
[doc] Fix sphinx target dependencies for the case of no CPP2PY modules
|
2019-12-02 15:16:13 -05:00 |
|
Malte Schüler
|
4b8a284a98
|
efermi is now read from LOCPROJ if DOSCAR does not contain it yet (e.g., for csc calculations)
|
2019-11-29 10:33:13 +01:00 |
|
Malte Schüler
|
ce6ff62af4
|
fixed tests for reading e-fermi from DOSCAR. Clean up of plovasp (prints from bugfixing
|
2019-11-25 09:53:05 +01:00 |
|
Malte Schüler
|
4fdf238472
|
E-Fermi is read from DOSCAR not from LOCPROJ
|
2019-11-25 07:52:40 +01:00 |
|
Malte Schüler
|
6b11183f4d
|
fixed tests for incorporating kpts
|
2019-11-21 21:34:37 +01:00 |
|
Nils Wentzell
|
09b0a68b26
|
[cmake] Fix cppcheck invocation, add --force to cppcheck options
|
2019-11-21 11:54:10 -05:00 |
|
Nils Wentzell
|
919639bd27
|
[cmake] Find libasan and libubsan only if the targets are not already defined by the parent project
|
2019-11-18 14:04:29 -05:00 |
|
Alexander Hampel
|
6cedb8aaaa
|
Extended the documentation for the VASP interface, with more precise statements about the actual implementation.
|
2019-11-05 11:40:23 -05:00 |
|
Nils Wentzell
|
64bbc3ce48
|
Use python instead of bash for the replace and rename operation
|
2019-10-31 18:19:01 -04:00 |
|
Nils Wentzell
|
b7dafbd2e6
|
Use PROJECT_VERSION over APP4TRIQS_VERSION
|
2019-10-28 18:23:15 -04:00 |
|
Philipp D
|
c03634fd2f
|
bug fix for Darwin replace_and_rename.sh
|
2019-10-24 14:34:27 -04:00 |
|
Nils Wentzell
|
9a3ab9327c
|
[travis] Switch to bionic travis image, clean dependencies
|
2019-10-20 17:22:04 -04:00 |
|
Nils Wentzell
|
762435cf0b
|
Add github issue templates for bug and feature request
|
2019-10-16 10:01:16 -04:00 |
|
Manuel Zingl
|
ef74ea30b8
|
Update Changelog
|
2019-10-15 10:06:35 -04:00 |
|
Nils Wentzell
|
c78b3eeab7
|
[doc] Add doc/cpp2rst_generated to gitignore
|
2019-10-11 14:54:16 -04:00 |
|
Nils Wentzell
|
0388421428
|
Add .gitignore for compile_commands.json
|
2019-10-10 17:29:54 -04:00 |
|
Nils Wentzell
|
5768a7f748
|
[cmake] Only use Wshadow=local for gcc
|
2019-10-10 15:59:39 -04:00 |
|
Nils Wentzell
|
9bca12d1ea
|
[jenkins] Synchronize Jenkinsfile with app4triqs
|
2019-10-10 13:46:39 -04:00 |
|
Nils Wentzell
|
09c40e741a
|
[cmake] Make regex in extract_flags.cmake more generic
|
2019-10-09 16:24:13 -04:00 |
|
Nils Wentzell
|
60b68690ec
|
Add documentation to python module
|
2019-10-09 16:23:25 -04:00 |
|
Nils Wentzell
|
7859505fea
|
[doc] Remove non-existant tag from doc example
|
2019-10-09 16:23:02 -04:00 |
|
Nils Wentzell
|
e4063bf4d0
|
[cmake] Prioritize -isystem over -I in extract_flags macro, Minor fix for empty list of inc_dirs
|
2019-09-26 09:49:34 -04:00 |
|
Nils Wentzell
|
a26bfae4d1
|
[cmake] Bump cppcheck c++ standard to c++17
|
2019-09-24 17:50:38 -04:00 |
|
Nils Wentzell
|
9f5aa8578c
|
[cmake] Provide extract_flags macro in share/cmake directory, simplify creation of docs_cpp2rst target
|
2019-09-24 15:17:47 -04:00 |
|
Nils Wentzell
|
10fd7f19a0
|
Add additional arguments to c++2py module generation call
|
2019-09-24 14:50:54 -04:00 |
|
Nils Wentzell
|
5daab99fa3
|
[readme] Add documentation file adjustments to the getting started list
|
2019-09-24 09:51:32 -04:00 |
|
Nils Wentzell
|
cc81dffa4a
|
[cmake] Minor corrections
|
2019-09-18 14:23:14 -04:00 |
|
Nils Wentzell
|
eefa265359
|
[doc] Include a markdown cheat sheet in the feature request issue template
|
2019-09-17 14:04:27 -04:00 |
|
Nils Wentzell
|
bdee25bb1b
|
[doc] Clean issue templates and make them more concise
|
2019-09-17 14:00:03 -04:00 |
|
Nils Wentzell
|
df33cb6ffd
|
[cmake] Clean c++/app4triqs/CMakeLists.txt after recent additions to triqs Findsanitizer.cmake
|
2019-09-16 14:39:27 -04:00 |
|
Malte Schüler
|
7a6450b6fa
|
implemented multiple ncsf VASP cycles
|
2019-09-16 10:59:46 +02:00 |
|
Nils Wentzell
|
30f32f8dec
|
[cmake] Update cppcheck language standard
|
2019-09-13 17:51:16 -04:00 |
|
Nils Wentzell
|
24f5268394
|
Minor clang-tidy fix in app4triqs.hpp
|
2019-09-13 17:10:35 -04:00 |
|
Nils Wentzell
|
d48811bf13
|
[clang-tidy] Disable modernize-use-trailing-return-type
|
2019-09-13 17:09:53 -04:00 |
|
Nils Wentzell
|
31433b69fb
|
[cmake] Build gtest from test/c++/gtest and use gtest_main target
|
2019-09-06 16:52:59 -04:00 |
|
Nils Wentzell
|
da55635d5c
|
Include gtest as a git subtree in test/c++/gtest
|
2019-09-06 16:12:18 -04:00 |
|
Nils Wentzell
|
f5b936317d
|
Squashed 'test/c++/gtest/' content from commit 3f05f651
git-subtree-dir: test/c++/gtest
git-subtree-split: 3f05f651ae3621db58468153e32016bc1397800b
|
2019-09-06 16:12:03 -04:00 |
|
Nils Wentzell
|
7ab1e6af22
|
Add C to Project Languages
|
2019-09-06 15:27:55 -04:00 |
|
Nils Wentzell
|
a69a449a43
|
Move setup files into separate bash scripts and adjust README
* Treat Linux and Darwin differently
|
2019-09-05 16:30:29 -04:00 |
|
Nils Wentzell
|
bdf91fa925
|
[app4triqs] Include cpp2rst_generated/contents in toctree
|
2019-09-04 17:37:50 -04:00 |
|
Nils Wentzell
|
28d600f149
|
[app4triqs] Rename files and Python module from toto to app4triqs
-Automatically detect any wrap generator files
-rename tests to basic/Py_Basic
|
2019-09-04 17:37:50 -04:00 |
|
Nils Wentzell
|
445e15d153
|
[app4triqs] Improved README
|
2019-09-04 17:37:42 -04:00 |
|
Nils Wentzell
|
5cb8bbf042
|
[cmake] Add -Wno-gcc-compat to project_warnings target
|
2019-09-04 16:17:51 -04:00 |
|
Nils Wentzell
|
36a21ee819
|
[jenkins] Change permissions for application sources in Dockerfile
|
2019-08-28 11:20:16 -04:00 |
|
Dylan Simon
|
058e39a6c2
|
[jenkins] Put a mutex around packaging repo updates
"correct" fix for race failures, though could use separate labeled
resources for each repo
|
2019-08-27 17:37:02 -04:00 |
|
Nils Wentzell
|
5148de2c29
|
Disable gcc in travis builds due to ld problem on xenial
|
2019-08-27 15:54:56 -04:00 |
|
Nils Wentzell
|
f28f0e68a4
|
[doc] Add cpp2rst and example output generation to doc building
|
2019-08-27 15:43:37 -04:00 |
|