165 Commits

Author	SHA1	Message	Date
Nils Wentzell	97c5cad66e	[py3] Run port_to_triqs3 script	2020-05-27 11:30:24 -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
Alexander Hampel	c92e814211	added missing info for marking equivalent sites	2020-03-27 18:00:32 -04:00
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	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
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
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
Manuel Zingl	ef74ea30b8	Update Changelog	2019-10-15 10:06:35 -04:00
Malte Schüler	7a6450b6fa	implemented multiple ncsf VASP cycles	2019-09-16 10:59:46 +02:00
Manuel	2d491050cc	[doc] Make doc around .indmftpr clear (issue #122)	2019-08-26 13:19:14 -04:00
Malte Schüler	d61b55f0a4	uncompleted work on csc NiO tutorial	2019-07-19 13:33:11 +02:00
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
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
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	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
Manuel	b516978606	[doc] Update ChangeLog	2019-04-16 16:31:14 -04:00
Nils Wentzell	800ef7c0b4	Prepare top-level CMakeLists.txt for triqs@2.1 compatible release	2019-04-16 11:09:27 -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