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Author	SHA1	Message	Date
Alexander Hampel	18abc77e33	SVO tutorial finalized, added remarks on VASP version in VASP interface guide, added CSC guide, small typo corrections in other files	2019-12-04 19:19:22 -05:00
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