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Commit Graph

  • 3aefac6ce8
    Merge 6a893840ee into 54918d74ba Alexander Hampel 2024-11-19 11:38:25 +0000
  • 6a893840ee use IBZ kpoint list for writing GAMMA vaspgamma.h5 dev_vasp_h5 the-hampel 2024-11-19 12:15:49 +0100
  • 79891a3af0
    Merge 08871798fc into 54918d74ba Olivier Gingras 2024-11-15 11:58:35 -0500
  • 54918d74ba [ghactions] For pull_request events use target branch name in the triqs clone command unstable Nils Wentzell 2024-11-15 11:49:03 -0500
  • 13d975bdf7 [ghactions] For pull_request events use target branch name in the triqs clone command Nils Wentzell 2024-11-15 11:49:03 -0500
  • 08871798fc [ghactions] For pull_request events use target branch name in the triqs clone command Nils Wentzell 2024-11-15 11:49:03 -0500
  • f695c554a3 Symmetric DFT implementation - 2 Dario Fiore Mosca 2024-11-15 11:26:11 +0100
  • 5687b24d30 Removed a print. Olivier Gingras 2024-11-13 15:07:03 -0500
  • 813cfff7f7 I had changed something for QE. Corrected. Olivier Gingras 2024-11-12 12:08:49 -0500
  • 917b269fef Add ABINIT option to the sumk class. Olivier Gingras 2024-10-22 17:57:15 -0400
  • 51e0586e38 Add the option to use the WANNIER Converter with ABINIT. Olivier Gingras 2024-10-22 14:58:23 -0400
  • 819d5e3e41 Print more info regarding the reading of the seedname.inp file. Olivier Gingras 2024-09-05 15:07:07 -0400
  • b97eb29f3e [ghactions] Install meson Nils Wentzell 2024-11-13 15:33:44 -0500
  • 9a2f64e070 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2024-11-13 15:04:22 -0500
  • 7e99a2f291 Symmetric DFT implementation Dario Fiore Mosca 2024-11-12 15:22:25 +0100
  • 44d791d90d update new vasp h5 interface to new structure the-hampel 2024-10-23 15:18:27 +0200
  • 692bc85c9e write deltaN only to vasp h5 if present, write to GAMMA text file only for old interface Alexander Hampel 2024-07-10 14:18:19 -0400
  • 26b355ea40 fix read error for tetrahedron data and eigs properties Alexander Hampel 2024-07-10 13:57:09 -0400
  • 6f47a72c4b add missing os import Alexander Hampel 2024-07-10 12:47:23 -0400
  • 75fbb9cbdb Reading vasptriqs.h5 file; reading GAMMA file for non-collinear full csc Dario Fiore Mosca 2024-05-06 10:30:17 +0200
  • f57080a6af [vasp] read fermi from vasp h5 archive and write deltaN to vasp h5 archive Alexander Hampel 2024-04-19 12:02:08 -0400
  • c3d525fb13
    Update runner images and compiler version (#16) Thomas Hahn 2024-09-30 15:34:14 -0400
  • d810576024 Allow for comment lines in SRC_templates (newer Wien2k versions) aichhorn 2024-09-16 14:29:58 +0200
  • c19cbe7971 Allow for comment lines in SRC_templates (newer Wien2k versions) 3.3.x aichhorn 2024-09-16 14:29:58 +0200
  • 73dd265f94 [jenkins] Synchronize Dockerfile with unstable 3.2.x Nils Wentzell 2024-09-13 10:56:23 -0400
  • 011f69de57 Use scipy.integrate.simpson instead of scipy.integrate.simps (#255) Nils Wentzell 2024-07-01 06:50:33 -0400
  • 4ea86b4bdb [ghactions] Always build against respective TRIQS branch Nils Wentzell 2024-09-10 12:59:43 -0400
  • 0108b39c83 [jenkins] For osx builds use gcc14 and python 3.12 Nils Wentzell 2024-09-05 15:35:06 -0400
  • 89434044aa Merge remote-tracking branch 'app4triqs-remote/3.3.x' into 3.3.x Nils Wentzell 2024-09-10 12:30:47 -0400
  • 32342c7e5b [jenkins] For osx builds use gcc14 and python 3.12 Nils Wentzell 2024-09-05 15:35:06 -0400
  • fafd625879 Update readElkfiles.py Xiao Jiang 2024-09-04 17:19:56 +0800
  • dcb47d6e27 Update readElkfiles.py Xiao Jiang 2024-09-04 17:19:56 +0800
  • b002037ac4 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2024-09-09 12:48:57 -0400
  • 2f91939baa Track app4triqs history after squash Nils Wentzell 2024-09-09 12:48:29 -0400
  • e6159779bb Merge remote-tracking branch 'app4triqs-remote/3.3.x' into unstable Nils Wentzell 2024-09-09 12:48:03 -0400
  • 6e48818d2f [jenkins] Synchronize jenkinsfile with triqs Nils Wentzell 2024-09-09 11:10:54 -0400
  • bbd45fb123 [cmake] Set cmake policies to current cmake version Nils Wentzell 2024-09-06 11:58:48 -0400
  • b07a3de46c [jenkins] For osx builds use gcc14 and python 3.12 Nils Wentzell 2024-09-05 15:35:06 -0400
  • ca6b11ce39 Replace numpy.lib.pad with numpy.pad Nils Wentzell 2024-06-21 12:01:06 -0400
  • c833b25633 Fix compatibility against numpy 2.0 Nils Wentzell 2024-06-21 11:47:39 -0400
  • 48e16d0f5e
    Update readElkfiles.py Xiao Jiang 2024-09-04 17:19:56 +0800
  • 8c22390c9c [doc] Update changelog for 3.3.1 Nils Wentzell 2024-09-03 13:55:45 -0400
  • 75f431c0b6 [cmake] Bump Version number to 3.3.1 Nils Wentzell 2024-09-03 13:55:35 -0400
  • 9162020617 [cmake] Use PROJECT_VERSION in conda/meta.yaml.in file Nils Wentzell 2024-09-03 13:55:16 -0400
  • f3a0d611ff [doc] Update changelog for 3.3.1 3.3.1 Nils Wentzell 2024-09-03 13:55:45 -0400
  • f9d392e41d [cmake] Bump Version number to 3.3.1 Nils Wentzell 2024-09-03 13:55:35 -0400
  • f11a376b92 [cmake] Use PROJECT_VERSION in conda/meta.yaml.in file Nils Wentzell 2024-09-03 13:55:16 -0400
  • eb9ef76f48 adding comments regarding PR #246 phibeck 2024-08-16 10:40:35 -0400
  • d1f1716f2c Update sumk_dft_transport.py Germán Blesio 2023-10-09 17:11:13 +0200
  • 90c4dfc72b Update sumk_dft_transport.py Germán Blesio 2023-10-05 14:35:19 +0200
  • 8bcda33018 Update sumk_dft_transport.py Germán Blesio 2023-10-05 11:15:51 +0200
  • e2507ad965 Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:50:04 +0200
  • 1919aa7ed7 Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:36:21 +0200
  • 0e1e767593 Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:12:51 +0200
  • 3f58f5eb9b Update sumk_dft_transport.py Germán Blesio 2023-10-04 13:55:56 +0200
  • 5c87dec2e4 adding comments regarding PR #246 phibeck 2024-08-16 10:40:35 -0400
  • dd7001a89a Update sumk_dft_transport.py Germán Blesio 2023-10-09 17:11:13 +0200
  • 4711e1d4b0 Update sumk_dft_transport.py Germán Blesio 2023-10-05 14:35:19 +0200
  • 6dde56d1c5 Update sumk_dft_transport.py Germán Blesio 2023-10-05 11:15:51 +0200
  • 297e4ecd98 Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:50:04 +0200
  • a2f5d986cf Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:36:21 +0200
  • dc45b601c1 Update sumk_dft_transport.py Germán Blesio 2023-10-04 14:12:51 +0200
  • 0aeb54296c Update sumk_dft_transport.py Germán Blesio 2023-10-04 13:55:56 +0200
  • 7f4cb056c1 cleaning up of optics part using wannierberri phibeck 2024-08-15 14:12:14 -0400
  • 969cc54fdd cleaning up of optics part using wannierberri phibeck 2024-08-15 14:12:14 -0400
  • 0120c2bf78 cleaning up of optics part using wannierberri phibeck 2024-08-15 14:12:14 -0400
  • 71dc824780 Update example API to include serialization function Nils Wentzell 2024-08-14 16:52:17 -0400
  • 9070a57575 [doc] update list of DFT codes on landing page Alexander Hampel 2024-08-14 16:10:51 -0400
  • 12a80e96bf [doc] update list of DFT codes on landing page Alexander Hampel 2024-08-14 16:10:51 -0400
  • 6e2428ef20 [cmake] Update Cpp2Py branch to main and bump version req Nils Wentzell 2024-08-13 17:33:13 -0400
  • 6424567335 [feat] use new .values() functionality of meshes Alexander Hampel 2024-08-13 09:06:38 -0400
  • 80f1ebe965 Fix serialization example Nils Wentzell 2024-08-07 16:52:55 -0400
  • 0aab50a923 Changes in WB and adjustment of error message phibeck 2024-07-17 10:30:09 -0400
  • e8b877dc9a Changes in WB and adjustment of error message phibeck 2024-07-17 10:30:09 -0400
  • a385cc3861 Use scipy.integrate.simpson instead of scipy.integrate.simps (#255) Nils Wentzell 2024-07-01 06:50:33 -0400
  • d1f118af09
    Use scipy.integrate.simpson instead of scipy.integrate.simps (#255) Nils Wentzell 2024-07-01 06:50:33 -0400
  • 7c51a13a33 Use scipy.integrate.simpson instead of scipy.integrate.simps Nils Wentzell 2024-06-28 17:04:50 -0400
  • f134fc8fa3 Replace numpy.lib.pad with numpy.pad Nils Wentzell 2024-06-21 12:01:06 -0400
  • 3ff06e51e2 Replace numpy.lib.pad with numpy.pad Nils Wentzell 2024-06-21 12:01:06 -0400
  • 1753594cfd Fix compatibility against numpy 2.0 Nils Wentzell 2024-06-21 11:47:39 -0400
  • 792abcb710 Fix compatibility against numpy 2.0 Nils Wentzell 2024-06-21 11:47:39 -0400
  • b8a667b3a1
    read wannier centres and symmetry kpath from w90 (#253) Chia-Nan Yeh 2024-06-03 15:00:01 -0400
  • 7b9dd665b6 add symm kpath to test Alexander Hampel 2024-06-03 14:34:22 -0400
  • b523e32958 [fix] w90convert test after fix for kpt_basis stor Alexander Hampel 2024-06-03 13:57:14 -0400
  • 3bddf995c8 read wannier centres and symmetry kpath from w90 cnyeh 2024-05-22 15:37:54 -0400
  • 79789512bf Squash app4triqs/3.3.x to reduce skeleton history when tracking Nils Wentzell 2022-02-17 16:58:35 -0500
  • 96110d2d4d [ghactions] Allow both unstable and release branch builds Nils Wentzell 2024-05-31 12:37:00 -0400
  • b58f676d02 [feat] add option to use DLR mesh in Sumk (#254) 3.3.0 Alexander Hampel 2024-05-26 20:35:41 -0400
  • a87276b6c4
    [feat] add option to use DLR mesh in Sumk (#254) Alexander Hampel 2024-05-26 20:35:41 -0400
  • c0218876b9 update DLR test Alexander Hampel 2024-05-26 20:31:02 -0400
  • 05acc55cce [feat] add option to use DLR mesh in Sumk Alexander Hampel 2023-12-14 11:10:59 -0500
  • 756761acde [doc] prepare changelog for 3.3.0 Alexander Hampel 2024-05-17 11:11:25 -0400
  • 8fb0bc3229 [cmake] fix 9c934e5 Alexander Hampel 2024-05-16 12:24:36 -0400
  • 9c934e56f0 [cmake] Remove C as a project language Nils Wentzell 2024-05-15 15:41:59 -0400
  • e485440ed9 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2024-05-15 15:41:36 -0400
  • f0f0789b45 Remove redundant sys.path insertion in conf.py.in Nils Wentzell 2024-05-14 15:07:39 -0400
  • 81113522b2 [cmake] Bump Version number to 3.3 Nils Wentzell 2024-05-14 15:07:21 -0400
  • ee6612c00b [cmake] Bump Version number to 3.3 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