Jonathan Karp
783dba2ae3
update SVO tutorial for dft tools 3
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I changed the expression for gf_struct so that it works with dft_tools 3.
While I was at it, I took out the definition of 'l' since it's not used
2021-02-25 12:41:57 -05:00
Hermann Schnait
b4040055b5
triqs3 bugfix in doc
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Brackets for print-statement were missing
2021-01-14 10:41:10 +01:00
Alexander Hampel
7ed25b8ae7
fix for malformed cmake options table
2020-10-06 09:16:59 -04:00
Alexander Hampel
526e1b1277
update link to dft_tools github in sidebar
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The link in the sidebar of the github logo to the dft_tools repo was wrong
2020-09-08 19:23:16 +02:00
Nils Wentzell
df285d3fb8
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable
2020-08-10 11:19:42 -04:00
Nils Wentzell
57a08de155
[doc] Revert to cloudflare mathjax url
2020-08-10 11:13:14 -04:00
Nils Wentzell
a15569f18b
[doc] No need to store agogo sphinx theme
2020-08-10 11:13:14 -04:00
Nils Wentzell
cb4f4711cb
[doc] Fix sidebar version number
2020-08-08 21:19:37 -04:00
Nils Wentzell
de8b2bd95e
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable
2020-08-08 16:37:03 -04:00
Alexander Hampel
b3763ffb0f
typo fix in ChangeLog
2020-08-06 09:40:44 +02:00
Manuel Zingl
3a78f18cfc
dmftproj: add option to specify band indices
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This adds another option and a mode flag in dmftproj:
* third value in window line defines now the mode
* new option to provide an energy window where all
bands which are within the window (at least at one k-point)
are taken into account for the projectors.
* updates to documention to reflects those changes
2020-08-04 17:48:06 +02:00
Alexander Hampel
1323ccbe65
fix for rst file
2020-08-04 10:58:04 +02:00
Alexander Hampel
378f743b09
Update for hdf5 structure reference
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- added missing corr to inequiv information
- added a Vasp specific section and added missing information
2020-08-04 10:51:01 +02:00
Nils Wentzell
eb68c32562
Update changelog for app4triqs 3.0.0 release
2020-08-03 15:39:20 -04:00
Alexander Hampel
5d406b22d9
complete ChangeLog with missing commits from BSrotations branch
2020-08-03 18:53:49 +02:00
Nils Wentzell
e15e3232f6
[doc] Some cleaning / resorting in 3.0.0 changelog
2020-07-31 09:38:01 -04:00
Alexander Hampel
79df43d255
first draft for 3.0 changelog
2020-07-31 12:55:58 +02:00
Nils Wentzell
9c23827e01
[doc] Add missing theme images
2020-07-27 15:25:32 -04:00
Nils Wentzell
6aff3f1a39
[cmake] Default to -DBuild_Deps=IfNotFound, adjust install instructions
2020-06-24 10:13:32 -04:00
Nils Wentzell
e9d06414af
Merge remote-tracking branch 'app4triqs-remote/unstable' into py3
2020-06-23 09:23:50 -04:00
Alexander Hampel
a1209f8a53
renamed converters from app_converter.py to app.py
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* adapted all occurences of the converter script file names including
the doc files
* fixed one failing test: Py_basis_transformation.py
2020-06-23 11:13:00 +02:00
Alexander Hampel
f27399758e
Merge branch 'unstable' into py3
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merged unstable into py3
* include the major changes of a94f8ed942
2020-06-23 10:53:52 +02:00
Nils Wentzell
81096e417e
[cmake] Properly set PATH environment for c++2rst custom command
2020-06-18 17:10:15 -04:00
Nils Wentzell
354f1420c1
[doc] Minor fix in install instructions
2020-06-10 16:47:19 -04:00
Nils Wentzell
612f9b8076
[doc] Use https over http in intersphinx_mapping
2020-06-10 16:46:58 -04:00
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
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* 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
jkarp314
e62839f10f
Update conv_W90.rst
2020-06-03 20:12:13 -04:00
jkarp314
e10ed91e3d
Update conv_W90.rst
2020-06-03 12:39:37 -04:00
jkarp314
0c4c793a3d
Update LaVO3_w90.inp
2020-06-03 12:35:15 -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
Markus Aichhorn
a94f8ed942
Merge pull request #138 from TRIQS/BSrotations
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BlockStructure and rotations
2020-05-13 12:17:15 +02:00
Nils Wentzell
a631b46d14
[cmake] Documentation build no longer requires triqs to be build with doc
2020-05-07 17:50:56 -04:00
Alexander Hampel
f3dfd1bc6a
added Wien2k doc link
2020-05-07 13:49:41 +02:00
Alexander Hampel
0552cf2057
Update doc/guide/blockstructure.rst
2020-05-07 13:28:22 +02:00
aichhorn
0ce04d34a7
finished SOC tutorial
2020-05-05 10:29:13 +02:00
aichhorn
4b09b97ce4
Included block_structure.convert_operator() in doc and non-SOC tutorial
2020-04-30 12:47:03 +02:00
aichhorn
85d4664d96
started SOC tutorial
2020-04-27 16:22:11 +02:00
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
aichhorn
c1fdfd1d8f
Added Tutorial fro basis rotations: Sr2MgOsO6 w/o SOC
2020-04-07 20:50:37 +02:00
