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
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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
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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
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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
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[doc] Fix crosslinking with triqs and cthyb website
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2020-03-23 17:10:45 -04:00 |
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Nils Wentzell
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490bdd92af
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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
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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
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[doc] First draft of the blockstructure documentation
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2020-02-26 14:06:01 +01:00 |
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aichhorn
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8e28518a31
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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
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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 6cedb8aaaa2fb04ffcc2c4f0791d512bbce21bd5.
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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
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2020-01-30 14:12:07 -05:00 |
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Alexander Hampel
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cf6789fd97
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changes to VASP CSC calculations in doc.
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2020-01-03 11:01:08 +01:00 |
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Malte Schueler
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13252201e3
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minor improvments in plovasp documentation
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2019-12-20 10:51:58 +01:00 |
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Nils Wentzell
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357c4b81ba
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[cmake] Use PROJECT_BINARY_DIR over CMAKE_BINARY_DIR
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2019-12-16 10:54:50 -05:00 |
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Alexander Hampel
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fae8887f4f
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Final small correction to Tutorials.
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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
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2019-12-04 19:19:22 -05:00 |
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Alexander Hampel
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e26444201a
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Updated reference documentation for PLOVASP classes and functions.
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2019-12-04 12:32:00 -05:00 |
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Alexander Hampel
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4d50e41135
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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
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2019-12-03 19:29:09 -05:00 |
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Nils Wentzell
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7b91cfbbb3
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[doc] Fix sphinx target dependencies for the case of no CPP2PY modules
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2019-12-02 15:16:13 -05:00 |
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Alexander Hampel
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6cedb8aaaa
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Extended the documentation for the VASP interface, with more precise statements about the actual implementation.
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2019-11-05 11:40:23 -05:00 |
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Nils Wentzell
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b7dafbd2e6
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Use PROJECT_VERSION over APP4TRIQS_VERSION
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2019-10-28 18:23:15 -04:00 |
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Manuel Zingl
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ef74ea30b8
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Update Changelog
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2019-10-15 10:06:35 -04:00 |
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Nils Wentzell
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9f5aa8578c
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[cmake] Provide extract_flags macro in share/cmake directory, simplify creation of docs_cpp2rst target
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2019-09-24 15:17:47 -04:00 |
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Malte Schüler
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7a6450b6fa
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implemented multiple ncsf VASP cycles
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2019-09-16 10:59:46 +02:00 |
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Nils Wentzell
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bdf91fa925
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[app4triqs] Include cpp2rst_generated/contents in toctree
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2019-09-04 17:37:50 -04:00 |
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Nils Wentzell
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28d600f149
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[app4triqs] Rename files and Python module from toto to app4triqs
-Automatically detect any wrap generator files
-rename tests to basic/Py_Basic
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2019-09-04 17:37:50 -04:00 |
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Nils Wentzell
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f28f0e68a4
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[doc] Add cpp2rst and example output generation to doc building
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2019-08-27 15:43:37 -04:00 |
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Nils Wentzell
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66f270e741
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App4triqs changelog
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2019-08-27 15:42:39 -04:00 |
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Manuel
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2d491050cc
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[doc] Make doc around .indmftpr clear (issue #122)
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2019-08-26 13:19:14 -04:00 |
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Nils Wentzell
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cd758dd639
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[doc] Add triqs-link to welcome page
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2019-08-19 18:25:15 -04:00 |
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Nils Wentzell
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ce19003682
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[doc] Update triqs links in conf.py.in
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2019-08-19 18:10:26 -04:00 |
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Malte Schüler
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d61b55f0a4
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uncompleted work on csc NiO tutorial
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2019-07-19 13:33:11 +02:00 |
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