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Author SHA1 Message Date
Manuel
2d491050cc [doc] Make doc around .indmftpr clear (issue #122) 2019-08-26 13:19:14 -04:00
Dylan Simon
180d062846 [jenkins] Don't trigger PR builds on upstream changes 2019-08-20 16:01:55 -04:00
Nils Wentzell
c87aceed37 [cmake] Generate list of all tests through GLOB_RECURSE by default 2019-08-20 14:32:21 -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
Manuel
35584a841c Add test for calculate_diagonalization_matrix 2019-08-15 20:18:40 -04:00
Manuel
9839dcdf9e Make mu and total density real 2019-08-15 13:12:12 -04:00
Manuel
796e05ea64 Rewrite calculate_diagonalization_matrix 2019-08-12 19:23:27 -04:00
Manuel
46d9229722 Beautify check density imag part 2019-08-12 16:28:49 -04:00
Nils Wentzell
a2767f16c8 [cmake] Exported targets should live in project namespace 2019-08-06 11:32:06 -04:00
Nils Wentzell
4f863dc2a5 [cmake] Install all modules by default 2019-08-06 11:14:57 -04:00
Nils Wentzell
3b1b412b4e Correction to previous commit, run c++ tests in proper test directory 2019-08-02 14:24:45 -04:00
Dylan Simon
81346f5e4d [jenkins] Make linux builds use requirements.txt 2019-07-31 12:13:28 -04:00
Dylan Simon
907827562b [jenkins] try to exclude large git packs from build 2019-07-31 12:13:08 -04:00
Nils Wentzell
63109a445b [cmake] Generalize test/c++/CMakeLists.txt file to allow subdirectories and globbing 2019-07-31 11:08:23 -04:00
Dylan Simon
e5a4cfb47e Add requirements.txt for python package dependencies 2019-07-29 14:42:20 -04:00
Dylan Simon
b5278079de [jenkins] remove myself from emails 2019-07-26 15:04:01 -04:00
Dylan Simon
7aaffab7e6 [jenkins] Preserve all installs by default 
as triqs does already
 2019-07-26 14:01:22 -04:00
Markus Aichhorn
ac1f55f3de
Merge pull request #119 from hschnait/2.1.x-withBSrotations 
Basis-Transformations in BlockStructure
 2019-07-22 15:00:34 +02:00
Markus Aichhorn
6111461b64
Merge pull request #118 from malte-schueler/merge_vasp2dmft 
Merge vasp2dmft functionalities into plovasp
 2019-07-19 14:26:05 +02:00
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
e7cddf3e7e Bugfix in calculate_diagonalization_matrix for more than one deg shell 2019-07-18 14:16:38 +02:00
Hermann Schnait
e40f315989 Implement calculate_diagonalization_matrix method into SK 2019-07-18 14:16:37 +02:00
Hermann Schnait
8016152c5e Documentation for basis rotations 2019-07-18 14:16:37 +02:00
Hermann Schnait
9bc4643fdf Update unit tests and bugfixes in BlockStructure 2019-07-18 14:15:43 +02:00
Hermann Schnait
bd228de768 Add adapt_deg_shells method and call it in map_gf_struct 2019-07-18 14:15:42 +02:00
Hermann Schnait
f695ccac7a Ignore imaginary part of the density when calculating mu 2019-07-18 14:15:42 +02:00
Hermann Schnait
810b315c92 Fixing TransBasis 2019-07-18 14:15:42 +02:00
Hermann Schnait
d66950a043 Remove show_warning again as it is not necessary anymore 2019-07-18 14:15:37 +02:00
Hermann Schnait
a44f3d36f4 Reworked Diagonalization function to ignore 'picked out' obitals (e.g. egs) 2019-07-18 14:15:37 +02:00
Hermann Schnait
6623a39739 Display transformation warnings only for relevant (solver) blocks 2019-07-18 14:15:37 +02:00
Hermann Schnait
32356a06ba Calculate diagonalization in solver blocks 2019-07-18 14:15:36 +02:00
Hermann Schnait
159ee1166e Thread show_warnings through to extract_gloc in SK 2019-07-18 14:15:36 +02:00
Hermann Schnait
187499b00f Bugfixes in block_structure 2019-07-18 14:15:36 +02:00
Hermann Schnait
ba79a7f708 Modified map_gf_struct to remove degshells + update test case 2019-07-18 14:15:35 +02:00
Hermann Schnait
3d0adafad2 Modified test-reference files to changed degshells when picking gf-struct 2019-07-18 14:15:35 +02:00
Hermann Schnait
743ff09cac Changed 'orb' parameter to 'ish' for consistency 2019-07-18 14:15:35 +02:00
Hermann Ulrich Schnait
51275c772d Bugfix in Blockstructure Test 2019-07-18 14:15:34 +02:00
Gernot J. Kraberger
1705e5268f blockstructure: adapt deg_shells in pick 2019-07-18 13:56:54 +02:00
Gernot J. Kraberger
8e4c923d21 [block_structure] create_matrix etc. 2019-07-18 13:56:54 +02:00
Gernot J. Kraberger
f0b1599379 SumkDFT: transform in calc_dc 2019-07-18 13:56:53 +02:00
Gernot J. Kraberger
8130d6b9fc block_structure: pick_gf_struct_sumk with transformation 
plus little bug fixes
 2019-07-18 13:56:53 +02:00
Gernot J. Kraberger
6a889fab8c block_structure: convert_gf with transformation 2019-07-18 13:56:52 +02:00
Gernot J. Kraberger
ff40e8e0f0 [doc] block_structure: small fixes 2019-07-18 13:56:52 +02:00
Gernot J. Kraberger
e9bfb3ed2c block_structure: effective_transformation_solver 2019-07-18 13:56:51 +02:00
Gernot J. Kraberger
bc78560ee1 block_structure: add corr_to_inequiv 2019-07-18 13:56:51 +02:00
Gernot J. Kraberger
2d48119876 block_structure: effective_transformation_sumk 2019-07-18 13:56:50 +02:00
Gernot J. Kraberger
5fd74f73b7 start with Sr2RuO4 guide 2019-07-18 13:56:49 +02:00
Gernot J. Kraberger
31cb7a0ea4 block_structure: prepare for transformation 
this includes some TODOs that need to be fixed
 2019-07-18 13:56:49 +02:00