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dft_tools
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  • ee6612c00b [cmake] Bump Version number to 3.3 unstable Alexander Hampel 2024-05-13 12:02:44 -0400
  • 10bf947083 [feat] introduce dc_imp_dyn for dynamic part of interaction Alexander Hampel 2024-05-13 12:00:37 -0400
  • 8f5a3b850c [build] add ver 3.3.0 changelog Alexander Hampel 2024-05-07 20:49:35 -0400
  • 320bbb5342 [build] prepare 3.2.1 bugfix release Alexander Hampel 2024-04-24 11:52:26 -0400
  • 742a4798df Reading vasptriqs.h5 file; reading GAMMA file for non-collinear full csc dev_vasp_h5 Dario Fiore Mosca 2024-05-06 10:30:17 +0200
  • 32ee58ae1d [fix] remove constrains on mpi size with vasp again 3.2.x Alexander Hampel 2024-04-30 10:54:43 -0400
  • 3d50d127b5 [fix] remove constrains on mpi size with vasp again Alexander Hampel 2024-04-30 10:54:43 -0400
  • b5625da274
         Merge 0e951639e6 into 48efe10950 Germán Blesio 2024-04-29 11:12:24 -0400
  • 4942821f45 [build] prepare 3.2.1 bugfix release 3.2.1 Alexander Hampel 2024-04-24 11:52:26 -0400
  • 9b973b5343 [vasp] read fermi from vasp h5 archive and write deltaN to vasp h5 archive Alexander Hampel 2024-04-19 12:02:08 -0400
  • 7f5d6a70f4 This fixes a bug in the Wannier90 Converter when the disentanglement window isn't set by the user (#252) Sophie Beck 2024-04-10 15:55:14 -0400
  • 48efe10950 [feat] allow dict/np.ndarrays input in symm_deg_gf Alexander Hampel 2024-04-10 17:46:11 -0400
  • 7eee3d1c60
         This fixes a bug in the Wannier90 Converter when the disentanglement window isn't set by the user (#252) Sophie Beck 2024-04-10 15:55:14 -0400
  • 243f00d265 This fixes a bug in the Wannier90 Converter when the disentanglement window isn't set by the user phibeck 2024-04-10 15:08:37 -0400
  • 0eda780024 [doc] fix typo in doi id of DC function Alexander Hampel 2024-04-09 09:55:02 -0400
  • 5aba02768b [doc] fix typo in doi id of DC function Alexander Hampel 2024-04-09 09:55:02 -0400
  • 13dd62d6bb Merge remote-tracking branch 'app4triqs/unstable' into unstable Thomas Hahn 2024-03-25 14:14:31 -0400
  • 2ec749ad4b Remove pip3 install command from Dockerfile Thomas Hahn 2024-03-22 15:26:07 -0400
  • 41eac4475a [fix] calc_density_correction: see issue #250 Alexander Hampel 2024-03-15 20:46:55 -0400
  • d5db329d22 [fix] calc_density_correction: see issue #250 Alexander Hampel 2024-03-15 20:46:55 -0400
  • 2fd6922983 Update requirements.txt with dependencies for documentation builds Nils Wentzell 2024-03-11 16:34:21 -0400
  • 0c9539ddf0
         [build] fix intel f2py build of elk converter (#249) Alexander Hampel 2024-03-08 11:06:53 -0500
  • 854a856c39 improvements from @wentzell fix_intel Alexander Hampel 2024-03-08 09:11:07 -0500
  • 20e94df2e0 [build] fix intel f2py build of elk converter Alexander Hampel 2024-03-07 15:44:31 -0500
  • c2fcb83ac1 Disable notes about C++ ABI changes when using gcc Nils Wentzell 2024-03-06 10:43:32 -0500
  • ae8d373c72 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2024-03-05 10:52:20 -0500
  • 196b7a4d9f [cmake] Fix naming in easybuild template file Nils Wentzell 2024-03-05 10:25:02 -0500
  • a3a49e514a Update macos build instructions in Jenkinsfile and build.yml Thomas Hahn 2024-03-05 10:11:26 -0500
  • eaa7c43551 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2024-03-04 17:59:48 -0500
  • 44580aad29 Additional corrections to 8d850803 Nils Wentzell 2024-03-04 17:51:58 -0500
  • 9c6917526c [cmake] Do not define DEBUG macros for RelWithDebInfo builds Nils Wentzell 2024-03-04 17:25:14 -0500
  • 7bac90fdcb [cmake] Correct target file inclusion PATH to be absolute Nils Wentzell 2024-03-01 13:55:40 -0500
  • 8d850803cb [cmake] Only use GNUInstallDirs for LIBDIR Nils Wentzell 2024-03-01 13:55:33 -0500
  • e92057573d [cmake] Fix target inclusion directory to use GNUInstallDirs Nils Wentzell 2024-03-01 10:37:51 -0500
  • 1ac5c875e4 [cmake] Use unstable branch of cpp2py Thomas Hahn 2024-02-28 16:10:12 -0500
  • d202f698fe [cmake] Minor improvements in top-level CMakeLists.txt Nils Wentzell 2024-02-27 12:19:10 -0500
  • 3e1a77116e [cmake] Consistently use GNUInstallDirs for install commands Nils Wentzell 2024-02-27 12:06:45 -0500
  • b355173cf1
         [feat] improved standard behavior of block struct (#248) Alexander Hampel 2024-02-26 14:50:24 -0500
  • 8a5301961e [feat] improved standard behavior of block struct Alexander Hampel 2024-02-26 12:30:03 -0500
  • f6e53b6ef2 [jenkins] Add ubuntu-intel build Nils Wentzell 2024-02-16 11:56:00 -0500
  • d4d231786e jenkins: remove my email Dylan Simon 2024-02-09 13:42:47 -0500
  • 156f23e499 [fix] scipy.compress depr -> numpy.compress 3.1.x Alexander Hampel 2024-01-30 13:08:03 -0500
  • a4565a1b34 Set proper GNU install dirs also in env vars file Nils Wentzell 2024-01-30 10:55:59 -0500
  • f6a2e9802a [cmake] Use GNUInstallDirs to obtain installation directories Nils Wentzell 2024-01-30 10:51:58 -0500
  • b36b136744 [fix] incorrect numpy data type for Max OS ARM Alexander Hampel 2023-10-24 16:14:20 -0400
  • 39e97257df [fix] scipy.compress depr -> numpy.compress Alexander Hampel 2024-01-22 15:13:44 -0500
  • c48a51c7e7 [build] fix MacOS X build: add ninja as req Thomas Hahn 2024-01-25 16:50:04 -0500
  • 3cf71970a5
         [build] fix MacOS X build: add ninja as req Thomas Hahn 2024-01-25 16:50:04 -0500
  • f0931a921f Add ninja to requirments.txt Thomas Hahn 2024-01-25 16:04:38 -0500
  • 9de4004e99 Add ninja as a requirement to ghactions Thomas Hahn 2024-01-25 13:51:47 -0500
  • a2a2e627ba Fix output of meson logs Thomas Hahn 2024-01-25 12:46:21 -0500
  • b7b81aa074 Print meson build logs in github actions Thomas Hahn 2024-01-25 11:21:00 -0500
  • 194cc57714 [fix] scipy.compress depr -> numpy.compress Alexander Hampel 2024-01-22 15:13:44 -0500
  • 11abd8dc06 [feat] add option to use DLR mesh in Sumk DEV_DLR Alexander Hampel 2023-12-14 11:10:59 -0500
  • 4951b15fa4 [feat] allow dc_imp to be a triqs Gf object (freq dependent) Alexander Hampel 2023-12-12 12:32:10 -0500
  • e3b947aee8 [cmake] Set policy CMP0144 to new Nils Wentzell 2023-12-06 16:47:17 -0500
  • 1a7a9af4e7 Fix typo in Jenkinsfile Nils Wentzell 2023-12-05 16:33:29 -0500
  • 373d30ab61 Bump actions/checkout from 2 to 4 Henri Menke 2023-10-31 19:17:25 +0100
  • 99b65a348b Fix settings environment variables Henri Menke 2023-10-31 19:01:20 +0100
  • 6b2d9b2bfb Allow manual dispatch and triggering action from other workflow Henri Menke 2023-10-23 16:36:00 +0200
  • 2c70bdfada Prevent unintentional parallelization in OpenBLAS Henri Menke 2023-10-16 09:54:59 +0200
  • 2e3e7d7feb Use ccache to speed up compilation Henri Menke 2023-10-13 13:35:03 +0200
  • c54f346ba3 [build] py312 add setuptools and meson as explicit dep for f2py Alexander Hampel 2023-10-24 16:16:30 -0400
  • bd88140192 [fix] incorrect numpy data type for Max OS ARM Alexander Hampel 2023-10-24 16:14:20 -0400
  • 0e951639e6
         Update sumk_dft_transport.py Germán Blesio 2023-10-09 17:11:13 +0200
  • 8d29fb77fb
         Update sumk_dft_transport.py Germán Blesio 2023-10-05 14:35:19 +0200
  • 57863d6529
         Update sumk_dft_transport.py Germán Blesio 2023-10-05 11:15:51 +0200
  • 29212fc973
         Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:50:04 +0200
  • 2c485ba89f
         Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:36:21 +0200
  • fafd7a2229
         Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:12:51 +0200
  • 1bb376c7ed
         Update sumk_dft_transport.py Germán Blesio 2023-10-04 13:55:56 +0200
  • ab04e46ebf [build] add packaging directory to cmake Alexander Hampel 2023-09-27 13:44:47 -0400
  • f4fb3278ee [cmake] Run Debug checks also in RelWithDebInfo build mode Nils Wentzell 2023-09-27 11:12:45 -0400
  • 93ee35d25e [jenkins] For sanitized build use RelWithDebInfo build mode Nils Wentzell 2023-09-27 11:12:07 -0400
  • b4fb9624e3 Remove numpydoc sources from doc/sphinxext Nils Wentzell 2023-09-20 14:32:46 -0400
  • dfe7c014fe [build] automatically set version in packaging Alexander Hampel 2023-09-26 15:24:08 -0400
  • 0ca04d26a7 Raise shm size for docker run commands to comply with mkl requirements Nils Wentzell 2023-09-18 17:25:48 -0400
  • 319e8b4dd5 [doc] Correct Ubuntu Version in install instructions Nils Wentzell 2023-09-15 14:45:36 -0400
  • b4c1050623 [doc] Correct Ubuntu Version in install instructions Nils Wentzell 2023-09-15 14:45:36 -0400
  • 057c239461 Skip image and binary files in replace_and_rename Nils Wentzell 2023-09-13 14:52:08 -0400
  • a5ab612302 Use python3 instead of python2 in replace_and_rename.py script Nils Wentzell 2023-09-13 14:50:44 -0400
  • b87ca75c89 [doc] add util module to autodoc Alexander Hampel 2023-09-03 11:24:56 +0200
  • 09eaa7a378 [doc] add util module to autodoc Alexander Hampel 2023-09-03 11:24:56 +0200
  • 5dae1aa028 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2023-09-01 07:49:50 -0400
  • 07830a6b3b [doc] Add 3.2.0 changelog Alexander Hampel 2023-09-01 09:44:08 +0200
  • 8d81828652 [doc] Add 3.2.0 changelog 3.2.0 Alexander Hampel 2023-09-01 09:44:08 +0200
  • 429a89e5cc [cmake] Change target for compiler warnings Thomas Hahn 2023-08-24 12:38:37 -0400
  • 1320dda5c3 [cmake] Change target for compiler warnings Thomas Hahn 2023-08-24 12:38:37 -0400
  • 0c65844c7b Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2023-08-23 16:54:42 -0400
  • 72029ee2ba [cmake] Fix sanitizer target names Nils Wentzell 2023-08-21 17:56:30 -0400
  • 54d4be9e08 [cmake] Add compiler warnings for IntelLLVM Thomas Hahn 2023-08-21 17:31:02 -0400
  • 74491922a8 [cmake] Do not find find cpp2py when PythonSupport==OFF and subproject Nils Wentzell 2023-08-15 16:13:44 -0400
  • c08a0923f4 [build] add libcxx flags for clang workflows Alexander Hampel 2023-08-15 13:54:10 -0400
  • c0afc3c44b [cmake] Protect against redefining santizier targets Nils Wentzell 2023-08-04 14:52:46 -0400
  • cb99846580 [cmake] Install bash files contained in doc pages Nils Wentzell 2023-08-03 16:19:59 -0400
  • 071f4b16a6
         Update README.md Alexander Hampel 2023-08-02 15:13:45 -0400
  • fbbba5dc95 [fix] w90 conv more generous matching to find fermi Alexander Hampel 2023-08-02 11:43:46 -0400
  • 59674b1b9a [cmake] Do not check doc build options as subproject Nils Wentzell 2023-07-26 15:36:55 -0400
  • fdfe1277cc Do not build documentation for subprojects Nils Wentzell 2023-07-26 14:55:30 -0400
  • 23723bc580 [vasp] change normion default to False Alexander Hampel 2023-07-24 10:41:59 -0400