dft_tools

LCPQ/dft_tools

Fork 0

mirror of https://github.com/triqs/dft_tools synced 2024-10-31 11:13:46 +01:00

Commit Graph

Select branches

Hide Pull Requests

2.1.x

2.2.x

3.0.x

3.1.x

3.2.x

3.3.x

DEV_GFV2

dev_vasp_h5

fleur

unstable

#101

#105

#114

#117

#118

#119

#129

#133

#134

#135

#138

#141

#143

#144

#145

#146

#147

#151

#152

#154

#158

#159

#161

#163

#166

#169

#170

#171

#173

#176

#177

#180

#185

#186

#189

#191

#198

#199

#2

#2

#200

#201

#202

#203

#204

#205

#206

#207

#208

#217

#218

#220

#221

#222

#225

#226

#227

#228

#229

#230

#232

#234

#237

#238

#239

#246

#247

#248

#249

#252

#253

#254

#255

#256

#257

#258

#3

#3

#4

#44

#44

#55

#6

#6

#63

#73

#77

#82

#82

#85

#86

#86

#87

#88

#91

1.0

1.1

1.2

1.3

1.4

1.4.1

1.5

2.1.0

2.2.0

2.2.1

3.0-rc1

3.0.0

3.1.0

3.1.1

3.2.0

3.2.1

3.3.0

3.3.1

final_cpp14_compat

py2_compat

v1.0

103a7fdefd [gh-actions] Fix broken llvm brew install command Nils Wentzell 2020-10-30 14:41:28 -0400
8870ca8adf [gh-actions] Do not stop all builds if one of them fails Nils Wentzell 2020-10-30 14:40:39 -0400
d4fba7b4ce [gh-actions] Install numpy scipy and mpi4py through pip3 instead of brew Nils Wentzell 2020-10-30 15:15:17 -0400
2446cc5843 [gh-actions] Fix broken llvm brew install command Nils Wentzell 2020-10-30 14:41:28 -0400
4d88bddd0b [gh-actions] Do not stop all builds if one of them fails Nils Wentzell 2020-10-30 14:40:39 -0400
32df9c4c5f [cmake] Set VERSION property for project library using major and minor version numbers Nils Wentzell 2020-10-30 14:39:40 -0400
547a7e3211 Ignore build* directories in .dockerignore Nils Wentzell 2020-10-30 14:37:34 -0400
1fa2376a99 sum_k.calc_mu exposes dichotomy parameter max_loops mmerkel 2020-10-30 18:58:57 +0100
b0b2a64286 removed unused debug print commands Alexander Hampel 2020-10-12 07:52:19 -0400
4525076ed6 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2020-10-09 09:28:38 -0400
f5ebef3af8 Adjust triqsvars.sh location in github actions and conda build scripts Nils Wentzell 2020-10-09 09:25:37 -0400
6b393bf710

fix wrong link to image in svo tutorial Alexander Hampel 2020-10-09 08:51:16 -0400
ad8c4e75fe

Elk converter (#151) AlynJ 2020-10-09 13:35:28 +0100
bdd6ea7101 clean up comments in sumk_dft_tools Alexander Hampel 2020-10-08 11:29:10 -0400
0af7195910 remove old calc_density_correction function definition Alexander Hampel 2020-10-08 11:24:54 -0400
a0f428b4e2 update_9 fixing typos Alyn James 2020-10-07 23:18:08 +0100
4a3ecef8c7 Merge branch 'elk_converter' of https://github.com/AlynJ/dft_tools into elk_converter Alyn James 2020-10-06 14:41:07 +0100
7ed25b8ae7 fix for malformed cmake options table Alexander Hampel 2020-10-05 18:19:20 -0400
6add053cb5 update_8 Elk interface link Alyn James 2020-10-06 09:54:04 +0100
34975d93b8 clean up Alexander Hampel 2020-10-05 18:14:46 -0400
9349f492d5 added elk functions to reference manual section of doc Alexander Hampel 2020-10-05 18:13:54 -0400
23b4204a76 reverted some wrong input parameters Alexander Hampel 2020-10-05 17:51:58 -0400
847dec6470 tested and corrected CSC SVO example Alexander Hampel 2020-10-05 17:26:23 -0400
c06d6b4b61 update_7 doc tweaks Alyn James 2020-10-05 17:31:51 +0100
75abdf3734 small fix to soc docu Alexander Hampel 2020-10-05 12:20:47 -0400
e87b64fe3a update_7 doc tweaks Alyn James 2020-10-05 17:29:01 +0100
158740f654 update_6 added elk.in Alyn James 2020-10-05 16:47:35 +0100
bc1c2c4bbf fix typos Alexander Hampel 2020-10-05 09:48:42 -0400
55a8a9d602 fix typos Alexander Hampel 2020-10-05 09:48:29 -0400
2a546a0c6b adjustments for updated scipy version Alexander Hampel 2020-10-05 09:48:16 -0400
0894282dee tutorial first pass. Correction of typos, links, and text adjustments Alexander Hampel 2020-10-05 09:47:55 -0400
2167517f49 update_7 doc tweaks Alyn James 2020-10-03 15:40:34 +0100
52c39dd8f3 update_6 doc tweaks Alyn James 2020-10-03 15:01:35 +0100
a19a3dd23e update_5 new tests Alyn James 2020-10-01 17:50:28 +0100
28f89c56b9 removed doc/conf.py as it has been replaced by conf.py.in Alexander Hampel 2020-10-01 11:17:03 -0400
40ab812b1a First pass on new Doc Alexander Hampel 2020-09-30 16:41:21 -0400
caf34c405c without _orig Alyn James 2020-09-30 20:09:28 +0100
e628a9f45b elk_update_4 Alyn James 2020-09-30 20:06:06 +0100
c5cba33df3 elk_update_python3 Alyn James 2020-09-27 11:20:34 +0100
8fe324a551 elk_insert_3 Alyn James 2020-09-23 17:22:22 +0100
961380c417 elk_insert2 Alyn James 2020-09-23 15:46:45 +0100
72a1748790 elk_insert Alyn James 2020-09-23 15:24:31 +0100
3eb4b27cad update_8 Elk interface link Alyn James 2020-10-06 09:54:04 +0100
966ebabd79 fix for malformed cmake options table Alexander Hampel 2020-10-05 18:19:20 -0400
6b9aa2fa16 clean up Alexander Hampel 2020-10-05 18:14:46 -0400
68a934d5a8 added elk functions to reference manual section of doc Alexander Hampel 2020-10-05 18:13:54 -0400
d498de5ce3 reverted some wrong input parameters Alexander Hampel 2020-10-05 17:51:58 -0400
0476c359c7 tested and corrected CSC SVO example Alexander Hampel 2020-10-05 17:26:23 -0400
e441f9876c update_7 doc tweaks Alyn James 2020-10-05 17:31:51 +0100
ac29cabc32 Merge branch 'elk_converter' of https://github.com/AlynJ/dft_tools into elk_converter Alyn James 2020-10-05 17:29:30 +0100
f181e23857 update_7 doc tweaks Alyn James 2020-10-05 17:29:01 +0100
2576ed9ea8 small fix to soc docu Alexander Hampel 2020-10-05 12:20:47 -0400
98fc44f4cd update_6 added elk.in Alyn James 2020-10-05 16:47:35 +0100
b0b3c6e468 fix typos Alexander Hampel 2020-10-05 09:48:42 -0400
0f967020b5 fix typos Alexander Hampel 2020-10-05 09:48:29 -0400
110de7ae59 adjustments for updated scipy version Alexander Hampel 2020-10-05 09:48:16 -0400
23c17eabf9 tutorial first pass. Correction of typos, links, and text adjustments Alexander Hampel 2020-10-05 09:47:55 -0400
fbec4f451c update_7 doc tweaks Alyn James 2020-10-03 15:40:34 +0100
9316f3433d update_6 doc tweaks Alyn James 2020-10-03 15:01:35 +0100
3fa15e7d94 update_5 new tests Alyn James 2020-10-01 17:50:28 +0100
bd9365512c removed doc/conf.py as it has been replaced by conf.py.in Alexander Hampel 2020-10-01 11:17:03 -0400
0da77a36bc First pass on new Doc Alexander Hampel 2020-09-30 16:41:21 -0400
eaf176df76 without _orig Alyn James 2020-09-30 20:09:28 +0100
1795b30b13 elk_update_4 Alyn James 2020-09-30 20:06:06 +0100
69c16ec212 Fix location of triqsvars.sh in gh actions build workflow Nils Wentzell 2020-09-30 10:35:11 -0400
384a45adae added note about compiler comp between triqs and dft codes Alexander Hampel 2020-09-28 14:48:06 -0400
0699ddfe9f elk_update_python3 Alyn James 2020-09-27 11:20:34 +0100
5f07a0cda1 elk_insert_3 Alyn James 2020-09-23 17:22:22 +0100
d76a28c80a [cmake] Install app4triqsvars.sh into subdirectory of share only for non-system install prefix Nils Wentzell 2020-09-23 12:10:27 -0400
52babb61b2 elk_insert2 Alyn James 2020-09-23 15:46:45 +0100
1068a8f470 elk_insert Alyn James 2020-09-23 15:24:31 +0100
5cf590e440 [cmake] Set @PROJECT_NAME@_MODULE_DIR in config.cmake file when PythonSupport enabled Nils Wentzell 2020-09-21 09:37:31 -0400
682a257a1b Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x 3.0.0 Nils Wentzell 2020-09-10 13:11:48 -0400
d5816335f9 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable Nils Wentzell 2020-09-10 13:04:30 -0400
556937134e Merge remote-tracking branch 'app4triqs/unstable' into unstable Dylan Simon 2020-09-10 11:57:06 -0400
76cb6414f6 [cmake] Properly suppress comma subscript warning on both clang and gcc Nils Wentzell 2020-09-10 10:11:41 -0400
b849c4383d Merge branch '3.0.x' into unstable Dylan Simon 2020-09-10 10:02:27 -0400
b6809e7dad Merge remote-tracking branch 'app4triqs/3.0.x' into 3.0.x Dylan Simon 2020-09-09 21:36:27 -0400
7c8d2ff37d [jenkins] update osx to python3.8 Dylan Simon 2020-09-09 19:32:24 -0400
87637f8d68 [jenkins] switch to gcc-10 on osx Dylan Simon 2020-09-09 19:03:28 -0400
5dbd12f165 [cmake] Use FindGit.cmake in external_dependency.cmake, Improve error message on clone failure Nils Wentzell 2020-09-09 15:51:00 -0400
14d30a1a14 [cmake] Do not warn about unkown warning options Nils Wentzell 2020-09-09 12:03:55 -0400
943b994345 fix for bug in wannier90 converter Alexander Hampel 2020-08-25 08:22:45 -0400
526e1b1277 update link to dft_tools github in sidebar Alexander Hampel 2020-08-26 11:19:48 +0200
bdb901d34d

update link to dft_tools github in sidebar Alexander Hampel 2020-08-26 11:19:48 +0200
d61ce6eaae fix for bug in wannier90 converter Alexander Hampel 2020-08-25 08:22:45 -0400
6a104622d1 renamed w90 reference h5 archive sobeck 2020-08-17 17:53:47 +0200
765bb6b3cb added new test in w90_convert.py for rot_mat_type='hloc_diag' sobeck 2020-08-17 17:40:06 +0200
393753dc96 typo in wannier90.py sobeck 2020-08-17 17:36:47 +0200
c6385b16d4 Bug fix: changed use_rotations from bool to int mmerkel 2020-08-13 17:08:02 +0200
52d2159c18 Small bugfixes mmerkel 2020-08-13 14:46:18 +0200
4ebfd15803 Added Gabriele's additional checks mmerkel 2020-08-12 17:14:27 +0200
19a2e55183 Added choice of different bases: hloc_diag, wannier (already implemented previously), none mmerkel 2020-08-12 17:09:44 +0200
aacb8847ac Clean-up: float comparison tolerances and few minor things mmerkel 2020-08-12 16:51:35 +0200
f52bed5a0f renamed w90 reference h5 archive sobeck 2020-08-17 17:53:47 +0200
3cc64e47bf added new test in w90_convert.py for rot_mat_type='hloc_diag' sobeck 2020-08-17 17:40:06 +0200
b938cfba6a typo in wannier90.py sobeck 2020-08-17 17:36:47 +0200
9878d38a53 Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable 3.0-rc1 Nils Wentzell 2020-08-14 12:40:06 -0400
056c421871 Fit tail explicitly in analyse_block_structure_from_gf2.py Nils Wentzell 2020-08-13 17:17:07 -0400
49e8072269 Bug fix: changed use_rotations from bool to int mmerkel 2020-08-13 17:08:02 +0200