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Author	SHA1	Message	Date
Malte Schüler	2dda711aed	plovasp: fixed some bugs for multiple ions per shell	2019-07-02 11:00:21 +02:00
Malte Schüler	d2263ae3d5	removed corr again from test files for backward compatibility	2019-07-01 11:36:56 +02:00
Malte Schüler	23e15abb66	removed corr and ion_list from shell in h5	2019-07-01 11:34:34 +02:00
Malte Schüler	251e3c16f3	added 'corr' flag to tests of converter	2019-07-01 11:29:00 +02:00
Malte Schüler	e9fd33dffb	plovasp: vasp_converter can now deal with H(k) and uncorrelated shells. Removed correleated shells and irrep from H(k) header.	2019-07-01 10:51:33 +02:00
Malte Schüler	3666518bdf	added corr flag to vasp_converter	2019-06-28 15:14:12 +02:00
Malte Schüler	1dd7552529	plovasp: added documentation and tests	2019-06-28 14:47:15 +02:00
Malte Schüler	29cfe8f711	plovasp: documentation and cleaning	2019-06-27 16:26:22 +02:00
Malte Schüler	96a6891f64	plovasp: first working version of H(k) and complement	2019-06-27 15:21:07 +02:00
Malte Schüler	90de1f3ab6	plovasp: added new input flags. Implemented band selection. Finished implementing corr.	2019-06-27 09:05:04 +02:00
Manuel	f0f998616e	wien2k_converter: read up or dn pmat and oubwin file if SO=1	2019-06-26 14:19:18 -04:00
Manuel	7946e548a2	Fix SO/SP in reading pmat and oubwin files	2019-06-14 11:18:58 -04:00
Manuel	5bb1d34459	SO/SP error in reading pmat and oubwin files	2019-06-14 11:08:12 -04:00
aichhorn	10e0143413	make total_density in calc_mu a real number	2019-06-13 16:06:00 +02:00
aichhorn	ba47c6a206	remove some bugs in the SrVO3 tutorial	2019-06-11 17:41:43 +02:00
aichhorn	d70b74831a	Merge branch 'unstable' of https://github.com/TRIQS/dft_tools into unstable	2019-06-11 17:22:50 +02:00
aichhorn	06273aff93	remove old reference to path_to_triqs from install.rst	2019-06-11 17:21:51 +02:00
Nils Wentzell	555084f149	Update links in README.md	2019-06-11 17:19:54 +02:00
Nils Wentzell	fdc34c4d06	Update links in README.md	2019-06-11 17:19:27 +02:00
Manuel	64d9215dd0	Bring install.rst in line with other applications	2019-05-16 18:20:18 -04:00
Manuel Zingl	2fea75133b	Merge pull request #114 from egcpvanloon/patch-1 ... Update install.rst: add missing cmake command	2019-05-16 18:13:36 -04:00
egcpvanloon	ac33d05faf	Update install.rst: add missing cmake command	2019-05-06 14:28:29 +02:00
Dylan Simon	876f1a27f2	[jenkins] Rename docker repo to packaging	2019-04-29 14:39:39 -04:00
Nils Wentzell	ff6ff34be8	[doc] Install doc files to share/doc/triqs_dft_tools	2019-04-26 15:08:57 -04:00
Dylan Simon	883111d3a9	[jenkins] update submodule name in docker check	2019-04-26 14:34:54 -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	816bdcb02d	Bump cpp2py version requirement	2019-04-16 17:04:27 -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
Dylan Simon	203783ceba	[jenkins] try a more robust git push	2019-03-06 11:51:25 -05:00
Nils Wentzell	96c085a69f	[jenkins] Adjust email adressses for jenkins reports	2019-02-21 11:01:22 -05:00
Nils Wentzell	29e650de34	[deb] Remove explicit cpp2py package dependency (deduced from triqs)	2019-01-22 09:47:53 -05:00
Manuel	4bbbcf93f1	[doc] Clean and merge python example scripts	2018-12-13 14:23:00 -05:00
Manuel Zingl	5a8996731d	Merge pull request #101 from TRIQS/vasp-update-2.0 ... VASP interface update	2018-12-12 12:11:14 -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	e8303aea2a	Fix include in converter test	2018-12-04 12:59:02 -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
Oleg E. Peil	c2dfc3fb6c	fix (plovasp tests): remove pytriqs... prefix from imports	2018-12-04 12:54:29 -05:00
Oleg Peil	a304e0ed36	Fixed bugs in converter tests	2018-12-04 12:52:02 -05:00