184 Commits

Author	SHA1	Message	Date
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
Markus Aichhorn	a94f8ed942	Merge pull request #138 from TRIQS/BSrotations ... BlockStructure and rotations	2020-05-13 12:17:15 +02:00
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
aichhorn	c1fdfd1d8f	Added Tutorial fro basis rotations: Sr2MgOsO6 w/o SOC	2020-04-07 20:50:37 +02:00
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
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
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
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