aichhorn
17592fe769
Revert "Extended the documentation for the VASP interface, with more precise statements about the actual implementation."
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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
Hermann Schnait
b9a20200ca
Merge branch 'gernotsandmychanges' into HEAD
2019-07-18 14:27:13 +02:00
Hermann Schnait
8016152c5e
Documentation for basis rotations
2019-07-18 14:16:37 +02:00
Gernot J. Kraberger
ff40e8e0f0
[doc] block_structure: small fixes
2019-07-18 13:56:52 +02:00
Gernot J. Kraberger
5fd74f73b7
start with Sr2RuO4 guide
2019-07-18 13:56:49 +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
Nils Wentzell
d02eff9ce3
[cmake] Consistently use PROJECT_SOURCE_DIR over CMAKE_SOURCE_DIR
2019-06-26 11:35:52 -04:00
aichhorn
ba47c6a206
remove some bugs in the SrVO3 tutorial
2019-06-11 17:41:43 +02:00
aichhorn
06273aff93
remove old reference to path_to_triqs from install.rst
2019-06-11 17:21:51 +02:00
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
egcpvanloon
ac33d05faf
Update install.rst: add missing cmake command
2019-05-06 14:28:29 +02:00
Nils Wentzell
ff6ff34be8
[doc] Install doc files to share/doc/triqs_dft_tools
2019-04-26 15:08:57 -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
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
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
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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
e03eb002cf
[cmake] docs_sphinx target should depend on generated module due to autodoc usage, Fix #2
2019-04-25 13:53:33 -04:00
Olivier Parcollet
e375861950
Merge branch 'unstable' into dev_autodoc
2019-04-23 16:48:49 -04:00
Olivier Parcollet
e055902496
Make doc a bit more complex
2019-04-23 16:44:00 -04:00
Hugo U. R. Strand
60671ba75b
[autodoc] adding python autodoc of c++ wrapped python module
2019-04-23 14:14:34 -04:00
Nils Wentzell
bb518a3e4c
[doc] Small fix in conf.py.in
2019-04-16 18:11:20 -04:00
Nils Wentzell
f4ba085165
Add missing logos to docs
2019-04-16 18:11:20 -04:00
Nils Wentzell
4f5fb4670b
[doc] Update index.rst page
2019-04-16 17:03:23 -04:00
Manuel
2fb39e7bf2
[doc] ChangeLog update
2019-04-16 16:38:17 -04:00
Nils Wentzell
9e606ab9ca
[cmake] Bump Version number and triqs requirement to 2.2(dev)
2019-04-16 16:32:44 -04:00
Manuel
b516978606
[doc] Update ChangeLog
2019-04-16 16:31:14 -04:00
Nils Wentzell
00b940dc17
[doc] Synchronize install page with qmc solvers
2019-04-16 15:04:04 -04:00
Nils Wentzell
57c5c8a892
[cmake] Remove remainders of separate cpp2py install (now included with triqs)
2019-04-16 11:17:17 -04:00
Nils Wentzell
800ef7c0b4
Prepare top-level CMakeLists.txt for triqs@2.1 compatible release
2019-04-16 11:09:27 -04:00
Nils Wentzell
095409d879
Major cleaning, Synchronize project structure with qmc codes
2019-04-12 16:36:03 -04:00
Nils Wentzell
4d2ba07226
Make generation of generated docs optional through docs_cpp2rst target
2019-04-02 11:13:11 -04:00
Manuel
4bbbcf93f1
[doc] Clean and merge python example scripts
2018-12-13 14:23:00 -05:00
Oleg E. Peil
072011133b
docs(plovasp): add various fxies to PLOVasp documentation
2018-12-12 14:18:29 +01:00
Oleg E. Peil
c4028dcbd9
docs(conv_vasp): add reference and link to PLO formalism in VASP
2018-12-12 14:16:54 +01:00
Manuel
a8c7569830
change del to with when reading hdf
2018-12-06 17:28:49 -05:00
Manuel
85c8c2b58c
[doc] minor fixes
2018-12-04 16:24:26 -05:00
Manuel
d8488efd98
[doc] Remove todos in doc
2018-12-04 12:54:29 -05:00
aichhorn
b14e802859
(doc) New structure for the converter tools doc
2018-12-04 12:54:29 -05:00
aichhorn
10018c6aa6
first version of the SrVO3 tutorial / Wien2k version
2018-12-04 12:54:29 -05:00
aichhorn
9cf4521fec
new structure for doc
2018-12-04 12:54:29 -05:00
Oleg E. Peil
ef9919c0f6
docs (plovasp): small fixes in PLOVasp docs
2018-12-04 12:54:29 -05:00
Oleg E. Peil
9081ce634c
docs (conversion): update VASP-conversion documentation
2018-12-04 12:54:29 -05:00
Nils Wentzell
bd0f4f64ec
[doc] Update and add website logos
2018-11-01 14:06:59 -04:00
Manuel Zingl
f4ad91f8b4
Merge pull request #105 from gkraberger/test_improvements
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Test improvements
2018-10-04 15:27:11 -04:00
Manuel
dfa10dffda
[doc] Modifications and corrections
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* Adapt the AC parts to the new TRIQS/maxent package
* Restructure the explaination on how to run the scripts
* Corrections of many typos and pytriqs occurences.
2018-09-20 00:32:33 -04:00
Nils Wentzell
548993e1d0
[doc] Update website logos
2018-09-17 15:00:54 -04:00
Nils Wentzell
afe06474ff
[cmake] Fix python environment for doc generation
2018-09-17 15:00:40 -04:00
Gernot J. Kraberger
e1d54ffcc5
[doc] add build/python to sys.path
2018-09-10 10:56:37 +02:00
Gernot J. Kraberger
6ed84c078f
Add option to measure python test coverage
2018-09-06 15:09:30 +02:00
Manuel
3f569a810e
Attempt to fix #100
2018-07-10 19:57:05 -04:00
Manuel
ba0cfa9013
Add doc to VASP converter concerning block structure
2018-07-09 10:50:36 -04:00
Manuel
2af2bac8d6
Commenting parts of SVO examples because issue #98 is not fixed.
2018-07-03 15:48:39 -04:00
Manuel
8a53a80e1e
Fix a few documentation issue of the VASP converter
2018-07-03 14:44:03 -04:00
Manuel
ad3a23196a
Replace pytriqs with python.
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There are still some more occurances of pytriqs.
Is on my list to be checked.
2018-07-02 19:16:50 -04:00
Manuel
e187958774
Fix issue #99
2018-06-26 15:05:05 -04:00
Manuel
9782be2c93
Fix issue #97
2018-06-25 14:21:39 -04:00
Dylan Simon
96fea4389b
[doc] Update old link to hubbardI to github
2018-06-25 10:23:30 -04:00
Nils Wentzell
006702252c
[doc] Add missing changelog files, Update compile instructions
2018-06-04 16:40:50 -04:00
Nils Wentzell
2632f2c87f
[doc] Update of install instructions, added changelog
2018-06-04 15:56:47 -04:00
Nils Wentzell
81ed3a9696
[doc] Fix a few doc warnings
2018-06-03 22:32:24 -04:00
Nils Wentzell
4a7ffbdf92
[doc] Fix few doc problems, add changelog
2018-06-03 22:28:55 -04:00
Nils Wentzell
2cd1a9384f
[cmake] app4triqs version detection via git, some cleaning in conf.py.in
2018-06-01 09:38:03 -04:00
Nils Wentzell
8a4f23e340
[cmake] Dft_tools version detection via git
2018-06-01 09:24:39 -04:00
Manuel
8e883f6118
Fix typo in doc example (issue #93 )
2018-05-31 09:27:51 -04:00
Nils Wentzell
4a75e3fdc8
Update urls
2018-05-28 09:49:33 -04:00
Nils Wentzell
1bab92c721
Merge tag '1.5'
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Release 1.5
2018-05-26 23:56:46 +02:00
Nils Wentzell
9d87d0be15
Updating import directives, minor correction to commit
2018-05-01 11:55:31 +02:00
Nils Wentzell
72c7f57110
Fix #89 Adjustments after recent triqs/cthyb gf_struct typechange
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-Adjust gf_struct keyword argument of CTHyb from dict : str -> indices
to list of pairs: [ [str, indices], ... ] in accordance with
recent cthyb/triqs changes
-Fix set_operator_structure in srvo3_Gloc.py test accordingly
-TODO: Adjust gf_struct appearences throughout dft_tools accordingly
2018-04-30 19:05:18 +02:00
