jkarp314
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0c4c793a3d
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Update LaVO3_w90.inp
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2020-06-03 12:35:15 -04:00 |
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Nils Wentzell
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fbe3f2fa0a
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[cmake] Prefer the use of PROJECT_NAME in most CMakeLists.txt files
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2020-05-28 11:20:01 -04:00 |
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Nils Wentzell
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96b305fe8e
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[doc] Add sphinx.ext.githubpages to conf.py.in
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2020-05-28 10:58:07 -04:00 |
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Nils Wentzell
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97c5cad66e
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[py3] Run port_to_triqs3 script
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2020-05-27 11:30:24 -04:00 |
|
Nils Wentzell
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aea8d18739
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[cmake] In extract_flags allow extraction of BUILD_INTERFACE flags
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2020-05-15 14:43:08 -04:00 |
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Nils Wentzell
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dbed8f20d5
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[cmake] Properly set PYTHONPATH for cpp2rst custom_command
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2020-05-15 12:09:22 -04:00 |
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Nils Wentzell
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6e4598ce07
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[cmake] Add PROJECT_NAME prefix to targets in doc dir to avoid naming conflicts
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2020-05-13 16:06:27 -04:00 |
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Markus Aichhorn
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a94f8ed942
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Merge pull request #138 from TRIQS/BSrotations
BlockStructure and rotations
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2020-05-13 12:17:15 +02:00 |
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Nils Wentzell
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a631b46d14
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[cmake] Documentation build no longer requires triqs to be build with doc
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2020-05-07 17:50:56 -04:00 |
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Alexander Hampel
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f3dfd1bc6a
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added Wien2k doc link
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2020-05-07 13:49:41 +02:00 |
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Alexander Hampel
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0552cf2057
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Update doc/guide/blockstructure.rst
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2020-05-07 13:28:22 +02:00 |
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aichhorn
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0ce04d34a7
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finished SOC tutorial
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2020-05-05 10:29:13 +02:00 |
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aichhorn
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4b09b97ce4
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Included block_structure.convert_operator() in doc and non-SOC tutorial
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2020-04-30 12:47:03 +02:00 |
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aichhorn
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85d4664d96
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started SOC tutorial
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2020-04-27 16:22:11 +02:00 |
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Nils Wentzell
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b9d934554c
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[cmake] Manage dependencies in a seperate deps subdirectory
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2020-04-22 15:04:30 -04:00 |
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Nils Wentzell
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4698f9db6e
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[py3] Run 2to3 on all ipython notebooks
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2020-04-09 14:47:51 -04:00 |
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Nils Wentzell
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961215ccac
|
Adjust to nda/h5 changes in triqs pytriqs.archive -> h5
-pytriqs.archive.hdf_archive_schemes -> h5.formats
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2020-04-08 17:41:18 -04:00 |
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Nils Wentzell
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97d4e0b402
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[py3] Run 2to3 -w -n **/*.py **/*.py.in
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2020-04-08 16:13:42 -04:00 |
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aichhorn
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c1fdfd1d8f
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Added Tutorial fro basis rotations: Sr2MgOsO6 w/o SOC
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2020-04-07 20:50:37 +02:00 |
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Nils Wentzell
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ed1e683b69
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Port py files to python3
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2020-04-03 16:21:07 -04:00 |
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hschnait
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ec2184259e
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Correct description of Transformation matrix
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2020-03-31 15:54:16 +02:00 |
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aichhorn
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5f2782980e
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worked on the sr2mgoso6 tutorial
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2020-03-31 09:43:05 +02:00 |
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aichhorn
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d6977d8bee
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cleaned up files in Sr2MgOsO6 doc
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2020-03-30 15:55:02 +02:00 |
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aichhorn
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a77844ea1a
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First draft of the Sr2MgOsO6 w/o SOC doc
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2020-03-30 15:46:54 +02:00 |
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aichhorn
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a3f792386e
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updated SOC doc
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2020-03-30 13:24:14 +02:00 |
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aichhorn
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3d649f0db5
|
finalised doc on automatic basis rotations
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2020-03-27 23:40:06 +01:00 |
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Alexander Hampel
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c92e814211
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added missing info for marking equivalent sites
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2020-03-27 18:00:32 -04:00 |
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aichhorn
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ae5720f75b
|
added the basic BlockStructure documentation
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2020-03-27 11:58:25 +01:00 |
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Nils Wentzell
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321bf87e8a
|
[doc] Fix crosslinking with triqs and cthyb website
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2020-03-23 17:10:45 -04:00 |
|
Nils Wentzell
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490bdd92af
|
Minor changelog corrections
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2020-03-23 17:05:07 -04:00 |
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Nils Wentzell
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4ae585ac8b
|
Add section on Anaconda packages to install page, Update Changelog for 2.2.1
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2020-03-23 17:00:36 -04:00 |
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aichhorn
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3c998adb71
|
[doc] First draft of the blockstructure documentation
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2020-02-26 14:06:01 +01:00 |
|
aichhorn
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8e28518a31
|
small bugfix with capital letters in BasisRotation
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2020-02-24 15:59:28 +01:00 |
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aichhorn
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ad0f2b54b9
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Reshuffled doc on SOC and Basisrotations
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2020-02-24 15:42:28 +01:00 |
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aichhorn
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1f2c0d3230
|
Updated ChangeLog.md
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2020-02-18 16:30:03 +01:00 |
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aichhorn
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b647762349
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Merge branch 'merge_vasp2dmft' into unstable
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2020-02-17 15:19:58 +01:00 |
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aichhorn
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17592fe769
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Revert "Extended the documentation for the VASP interface, with more precise statements about the actual implementation."
This reverts commit 6cedb8aaaa.
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2020-02-17 15:19:30 +01:00 |
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Alexander Hampel
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25b76e567e
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implemented changes requested by @opeil
|
2020-01-30 14:12:07 -05:00 |
|
Alexander Hampel
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cf6789fd97
|
changes to VASP CSC calculations in doc.
|
2020-01-03 11:01:08 +01:00 |
|
Malte Schueler
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13252201e3
|
minor improvments in plovasp documentation
|
2019-12-20 10:51:58 +01:00 |
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Nils Wentzell
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357c4b81ba
|
[cmake] Use PROJECT_BINARY_DIR over CMAKE_BINARY_DIR
|
2019-12-16 10:54:50 -05:00 |
|
Alexander Hampel
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fae8887f4f
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Final small correction to Tutorials.
|
2019-12-05 11:15:52 -05:00 |
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Alexander Hampel
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18abc77e33
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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 |
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Alexander Hampel
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e26444201a
|
Updated reference documentation for PLOVASP classes and functions.
|
2019-12-04 12:32:00 -05:00 |
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Alexander Hampel
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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 |
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Nils Wentzell
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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
-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
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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
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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
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 |
|