Nils Wentzell
09ed5c40ad
Merge remote-tracking branch 'app4triqs-remote/py3' into py3
2020-06-10 13:38:21 -04:00
Alexander Hampel
11d394fd5b
synchronize dfttools with app4triqs structure
...
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00
Nils Wentzell
4139230849
[doc] Update url in intersphinx_mapping for python
2020-06-08 15:36:27 -04:00
Nils Wentzell
c98b36140a
[doc] Update autorun to latest version, default to utf8 encoding
2020-06-08 14:49:06 -04:00
Nils Wentzell
fbe3f2fa0a
[cmake] Prefer the use of PROJECT_NAME in most CMakeLists.txt files
2020-05-28 11:20:01 -04:00
Nils Wentzell
96b305fe8e
[doc] Add sphinx.ext.githubpages to conf.py.in
2020-05-28 10:58:07 -04:00
Nils Wentzell
97c5cad66e
[py3] Run port_to_triqs3 script
2020-05-27 11:30:24 -04:00
Nils Wentzell
aea8d18739
[cmake] In extract_flags allow extraction of BUILD_INTERFACE flags
2020-05-15 14:43:08 -04:00
Nils Wentzell
dbed8f20d5
[cmake] Properly set PYTHONPATH for cpp2rst custom_command
2020-05-15 12:09:22 -04:00
Nils Wentzell
6e4598ce07
[cmake] Add PROJECT_NAME prefix to targets in doc dir to avoid naming conflicts
2020-05-13 16:06:27 -04:00
Nils Wentzell
a631b46d14
[cmake] Documentation build no longer requires triqs to be build with doc
2020-05-07 17:50:56 -04:00
Nils Wentzell
b9d934554c
[cmake] Manage dependencies in a seperate deps subdirectory
2020-04-22 15:04:30 -04:00
Nils Wentzell
4698f9db6e
[py3] Run 2to3 on all ipython notebooks
2020-04-09 14:47:51 -04:00
Nils Wentzell
961215ccac
Adjust to nda/h5 changes in triqs pytriqs.archive -> h5
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-pytriqs.archive.hdf_archive_schemes -> h5.formats
2020-04-08 17:41:18 -04:00
Nils Wentzell
97d4e0b402
[py3] Run 2to3 -w -n **/*.py **/*.py.in
2020-04-08 16:13:42 -04:00
Nils Wentzell
ed1e683b69
Port py files to python3
2020-04-03 16:21:07 -04:00
Alexander Hampel
c92e814211
added missing info for marking equivalent sites
2020-03-27 18:00:32 -04:00
Nils Wentzell
321bf87e8a
[doc] Fix crosslinking with triqs and cthyb website
2020-03-23 17:10:45 -04:00
Nils Wentzell
490bdd92af
Minor changelog corrections
2020-03-23 17:05:07 -04:00
Nils Wentzell
4ae585ac8b
Add section on Anaconda packages to install page, Update Changelog for 2.2.1
2020-03-23 17:00:36 -04:00
aichhorn
1f2c0d3230
Updated ChangeLog.md
2020-02-18 16:30:03 +01:00
aichhorn
b647762349
Merge branch 'merge_vasp2dmft' into unstable
2020-02-17 15:19:58 +01:00
aichhorn
17592fe769
Revert "Extended the documentation for the VASP interface, with more precise statements about the actual implementation."
...
This reverts commit 6cedb8aaaa
2020-02-17 15:19:30 +01:00
Alexander Hampel
25b76e567e
implemented changes requested by @opeil
2020-01-30 14:12:07 -05:00
Alexander Hampel
cf6789fd97
changes to VASP CSC calculations in doc.
2020-01-03 11:01:08 +01:00
Malte Schueler
13252201e3
minor improvments in plovasp documentation
2019-12-20 10:51:58 +01:00
Nils Wentzell
357c4b81ba
[cmake] Use PROJECT_BINARY_DIR over CMAKE_BINARY_DIR
2019-12-16 10:54:50 -05:00
Alexander Hampel
fae8887f4f
Final small correction to Tutorials.
2019-12-05 11:15:52 -05:00
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
7b91cfbbb3
[doc] Fix sphinx target dependencies for the case of no CPP2PY modules
2019-12-02 15:16:13 -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
b7dafbd2e6
Use PROJECT_VERSION over APP4TRIQS_VERSION
2019-10-28 18:23:15 -04:00
Manuel Zingl
ef74ea30b8
Update Changelog
2019-10-15 10:06:35 -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
Malte Schüler
7a6450b6fa
implemented multiple ncsf VASP cycles
2019-09-16 10:59:46 +02:00
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
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-Automatically detect any wrap generator files
-rename tests to basic/Py_Basic
2019-09-04 17:37:50 -04:00
Nils Wentzell
f28f0e68a4
[doc] Add cpp2rst and example output generation to doc building
2019-08-27 15:43:37 -04:00
Nils Wentzell
66f270e741
App4triqs changelog
2019-08-27 15:42:39 -04:00
Manuel
2d491050cc
[doc] Make doc around .indmftpr clear (issue #122 )
2019-08-26 13:19:14 -04:00
Nils Wentzell
cd758dd639
[doc] Add triqs-link to welcome page
2019-08-19 18:25:15 -04:00
Nils Wentzell
ce19003682
[doc] Update triqs links in conf.py.in
2019-08-19 18:10:26 -04:00
Malte Schüler
d61b55f0a4
uncompleted work on csc NiO tutorial
2019-07-19 13:33:11 +02:00
Nils Wentzell
bb3eb8ecad
[cmake] Install svg figures together with documentation
2019-07-16 11:26:38 -04:00
Malte Schüler
8f184fc963
tests for plovasp's H(k) and complement. Further work on NiO tutorial
2019-07-12 16:04:10 +02:00
Malte Schüler
a882ffa575
work in NiO tutorial
2019-07-08 09:55:22 +02:00
Malte Schüler
1eecf80b66
added VaspConverter to reference manual
2019-07-03 13:06:50 +02:00
Nils Wentzell
1ececb7a4b
[cmake] Bump Version number and triqs requirement to 2.2.0
2019-07-02 10:54:38 -04:00
