Nils Wentzell
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ce19003682
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[doc] Update triqs links in conf.py.in
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2019-08-19 18:10:26 -04:00 |
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Manuel
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35584a841c
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Add test for calculate_diagonalization_matrix
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2019-08-15 20:18:40 -04:00 |
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Manuel
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9839dcdf9e
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Make mu and total density real
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2019-08-15 13:12:12 -04:00 |
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Manuel
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796e05ea64
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Rewrite calculate_diagonalization_matrix
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2019-08-12 19:23:27 -04:00 |
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Manuel
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46d9229722
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Beautify check density imag part
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2019-08-12 16:28:49 -04:00 |
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Nils Wentzell
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a2767f16c8
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[cmake] Exported targets should live in project namespace
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2019-08-06 11:32:06 -04:00 |
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Nils Wentzell
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4f863dc2a5
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[cmake] Install all modules by default
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2019-08-06 11:14:57 -04:00 |
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Nils Wentzell
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3b1b412b4e
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Correction to previous commit, run c++ tests in proper test directory
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2019-08-02 14:24:45 -04:00 |
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Dylan Simon
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81346f5e4d
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[jenkins] Make linux builds use requirements.txt
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2019-07-31 12:13:28 -04:00 |
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Dylan Simon
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907827562b
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[jenkins] try to exclude large git packs from build
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2019-07-31 12:13:08 -04:00 |
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Nils Wentzell
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63109a445b
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[cmake] Generalize test/c++/CMakeLists.txt file to allow subdirectories and globbing
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2019-07-31 11:08:23 -04:00 |
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Dylan Simon
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e5a4cfb47e
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Add requirements.txt for python package dependencies
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2019-07-29 14:42:20 -04:00 |
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Dylan Simon
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b5278079de
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[jenkins] remove myself from emails
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2019-07-26 15:04:01 -04:00 |
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Dylan Simon
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7aaffab7e6
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[jenkins] Preserve all installs by default
as triqs does already
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2019-07-26 14:01:22 -04:00 |
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Markus Aichhorn
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ac1f55f3de
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Merge pull request #119 from hschnait/2.1.x-withBSrotations
Basis-Transformations in BlockStructure
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2019-07-22 15:00:34 +02:00 |
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Markus Aichhorn
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6111461b64
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Merge pull request #118 from malte-schueler/merge_vasp2dmft
Merge vasp2dmft functionalities into plovasp
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2019-07-19 14:26:05 +02:00 |
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Malte Schüler
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d61b55f0a4
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uncompleted work on csc NiO tutorial
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2019-07-19 13:33:11 +02:00 |
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Hermann Schnait
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b9a20200ca
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Merge branch 'gernotsandmychanges' into HEAD
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2019-07-18 14:27:13 +02:00 |
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Hermann Schnait
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e7cddf3e7e
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Bugfix in calculate_diagonalization_matrix for more than one deg shell
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2019-07-18 14:16:38 +02:00 |
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Hermann Schnait
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e40f315989
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Implement calculate_diagonalization_matrix method into SK
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2019-07-18 14:16:37 +02:00 |
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Hermann Schnait
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8016152c5e
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Documentation for basis rotations
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2019-07-18 14:16:37 +02:00 |
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Hermann Schnait
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9bc4643fdf
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Update unit tests and bugfixes in BlockStructure
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2019-07-18 14:15:43 +02:00 |
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Hermann Schnait
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bd228de768
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Add adapt_deg_shells method and call it in map_gf_struct
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2019-07-18 14:15:42 +02:00 |
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Hermann Schnait
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f695ccac7a
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Ignore imaginary part of the density when calculating mu
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2019-07-18 14:15:42 +02:00 |
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Hermann Schnait
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810b315c92
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Fixing TransBasis
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2019-07-18 14:15:42 +02:00 |
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Hermann Schnait
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d66950a043
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Remove show_warning again as it is not necessary anymore
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2019-07-18 14:15:37 +02:00 |
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Hermann Schnait
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a44f3d36f4
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Reworked Diagonalization function to ignore 'picked out' obitals (e.g. egs)
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2019-07-18 14:15:37 +02:00 |
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Hermann Schnait
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6623a39739
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Display transformation warnings only for relevant (solver) blocks
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2019-07-18 14:15:37 +02:00 |
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Hermann Schnait
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32356a06ba
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Calculate diagonalization in solver blocks
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2019-07-18 14:15:36 +02:00 |
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Hermann Schnait
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159ee1166e
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Thread show_warnings through to extract_gloc in SK
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2019-07-18 14:15:36 +02:00 |
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Hermann Schnait
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187499b00f
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Bugfixes in block_structure
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2019-07-18 14:15:36 +02:00 |
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Hermann Schnait
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ba79a7f708
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Modified map_gf_struct to remove degshells + update test case
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2019-07-18 14:15:35 +02:00 |
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Hermann Schnait
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3d0adafad2
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Modified test-reference files to changed degshells when picking gf-struct
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2019-07-18 14:15:35 +02:00 |
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Hermann Schnait
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743ff09cac
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Changed 'orb' parameter to 'ish' for consistency
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2019-07-18 14:15:35 +02:00 |
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Hermann Ulrich Schnait
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51275c772d
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Bugfix in Blockstructure Test
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2019-07-18 14:15:34 +02:00 |
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Gernot J. Kraberger
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1705e5268f
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blockstructure: adapt deg_shells in pick
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2019-07-18 13:56:54 +02:00 |
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Gernot J. Kraberger
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8e4c923d21
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[block_structure] create_matrix etc.
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2019-07-18 13:56:54 +02:00 |
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Gernot J. Kraberger
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f0b1599379
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SumkDFT: transform in calc_dc
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2019-07-18 13:56:53 +02:00 |
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Gernot J. Kraberger
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8130d6b9fc
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block_structure: pick_gf_struct_sumk with transformation
plus little bug fixes
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2019-07-18 13:56:53 +02:00 |
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Gernot J. Kraberger
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6a889fab8c
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block_structure: convert_gf with transformation
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2019-07-18 13:56:52 +02:00 |
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Gernot J. Kraberger
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ff40e8e0f0
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[doc] block_structure: small fixes
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2019-07-18 13:56:52 +02:00 |
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Gernot J. Kraberger
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e9bfb3ed2c
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block_structure: effective_transformation_solver
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2019-07-18 13:56:51 +02:00 |
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Gernot J. Kraberger
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bc78560ee1
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block_structure: add corr_to_inequiv
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2019-07-18 13:56:51 +02:00 |
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Gernot J. Kraberger
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2d48119876
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block_structure: effective_transformation_sumk
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2019-07-18 13:56:50 +02:00 |
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Gernot J. Kraberger
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5fd74f73b7
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start with Sr2RuO4 guide
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2019-07-18 13:56:49 +02:00 |
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Gernot J. Kraberger
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31cb7a0ea4
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block_structure: prepare for transformation
this includes some TODOs that need to be fixed
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2019-07-18 13:56:49 +02:00 |
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Nils Wentzell
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8d906ed6cc
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[cmake] Use PROJECT_GIT_HASH instead to store git hash and adjust dependent files accordingly
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2019-07-16 11:54:32 -04:00 |
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Nils Wentzell
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99df95f853
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[travis] Switch to gcc and clang version 8, clean dependency list
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2019-07-16 11:29:51 -04:00 |
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Nils Wentzell
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45dc6e1b3c
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[travis] Build against sanitized version of triqs
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2019-07-16 11:28:45 -04:00 |
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Nils Wentzell
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bb3eb8ecad
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[cmake] Install svg figures together with documentation
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2019-07-16 11:26:38 -04:00 |
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