275 Commits

Author	SHA1	Message	Date
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 ... -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
Nils Wentzell	ed1e683b69	Port py files to python3	2020-04-03 16:21:07 -04:00
hschnait	ec2184259e	Correct description of Transformation matrix	2020-03-31 15:54:16 +02:00
aichhorn	5f2782980e	worked on the sr2mgoso6 tutorial	2020-03-31 09:43:05 +02:00
aichhorn	d6977d8bee	cleaned up files in Sr2MgOsO6 doc	2020-03-30 15:55:02 +02:00
aichhorn	a77844ea1a	First draft of the Sr2MgOsO6 w/o SOC doc	2020-03-30 15:46:54 +02:00
aichhorn	a3f792386e	updated SOC doc	2020-03-30 13:24:14 +02:00
aichhorn	3d649f0db5	finalised doc on automatic basis rotations	2020-03-27 23:40:06 +01:00
Alexander Hampel	c92e814211	added missing info for marking equivalent sites	2020-03-27 18:00:32 -04:00
aichhorn	ae5720f75b	added the basic BlockStructure documentation	2020-03-27 11:58:25 +01:00
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	3c998adb71	[doc] First draft of the blockstructure documentation	2020-02-26 14:06:01 +01:00
aichhorn	8e28518a31	small bugfix with capital letters in BasisRotation	2020-02-24 15:59:28 +01:00
aichhorn	ad0f2b54b9	Reshuffled doc on SOC and Basisrotations	2020-02-24 15:42:28 +01:00
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 ... -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 ... 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