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Revision Author Date Message Commit Date
629856f Merge branch 'use-fixed_density' into 'master' Draft: Do a modern fixed_density calculation See merge request mortengjerding/asr!383 11 January 2021, 16:49:42 UTC
8d0c077 Do a modern fixed_density calculation 11 January 2021, 16:48:38 UTC
ec13db8 Merge branch 'update-therm-class' into 'master' Update thermodynamic stability classifier definition See merge request mortengjerding/asr!382 08 January 2021, 14:47:38 UTC
4e705f3 flake8 08 January 2021, 14:28:58 UTC
527a8dc Merge branch 'fix-emasses-210107' into 'master' Fix emasses validate step See merge request mortengjerding/asr!380 07 January 2021, 13:56:58 UTC
a9ea9a0 Merge branch 'fix-hse-missing-keys' into 'master' Fix missing keys in HSE calcs with no BG See merge request mortengjerding/asr!379 07 January 2021, 13:10:46 UTC
528f71f Fix emasses validate step 07 January 2021, 13:09:24 UTC
ece8267 Fix missing keys in HSE calcs with no BG 07 January 2021, 11:52:29 UTC
31521c7 Update thermodynamic stability classifier definition 06 January 2021, 15:06:07 UTC
529f78c Merge branch 'remove-missing-keys-warning' into 'master' Remove missing keys warnings See merge request mortengjerding/asr!376 18 December 2020, 08:27:51 UTC
ce900de Remove missing keys warnings 18 December 2020, 07:59:16 UTC
02ae8c5 Merge branch 'update-docs-20201217' into 'master' Update docs 20201217 See merge request mortengjerding/asr!375 17 December 2020, 17:18:49 UTC
a70aaa0 Fix doctest 17 December 2020, 16:59:09 UTC
c12b122 Remove uninted conf file 17 December 2020, 16:49:26 UTC
3277ef3 Add ASR 1.0 presentation 17 December 2020, 16:30:55 UTC
b1ad5b7 Update available recipes list 17 December 2020, 16:18:11 UTC
a0bb71f Merge branch 'asr-ase-database-interface' into 'master' Asr ase database interface See merge request mortengjerding/asr!373 15 December 2020, 10:34:40 UTC
a2a6761 Use only two digits for Bader charges 11 December 2020, 09:07:18 UTC
f9ebcce Merge branch 'fix-fermisurface-results-object' into 'master' Fix fermisurface results object See merge request mortengjerding/asr!372 07 December 2020, 18:29:44 UTC
941e66f Improve recipe list documentation 07 December 2020, 13:25:57 UTC
6f9d250 Make guide for retrieving results from database 07 December 2020, 11:26:49 UTC
11f07e7 Add test of Fermi surface 07 December 2020, 10:35:22 UTC
7e9dad0 Fix fermi surface calculation 07 December 2020, 10:35:06 UTC
52715c5 Improve to1bz mock 07 December 2020, 10:34:54 UTC
3d19bcf Merge branch 'asr-gs-extremum-plot-3d' into 'master' Use time reversal symmetry as well See merge request mortengjerding/asr!370 03 December 2020, 13:00:45 UTC
33a5c56 Use time reversal symmetry as well 03 December 2020, 12:40:58 UTC
ec92f82 Merge branch 'asr-gs-extremum-plot-3d' into 'master' Fix VBM and CBM plots in 3D See merge request mortengjerding/asr!369 03 December 2020, 12:13:24 UTC
2d54739 Make extremums be plotted the correct way in 3D arrrhg 03 December 2020, 10:52:21 UTC
fc7ebe8 Merge branch 'fix-chc-webpanel' into 'master' Some fixes to the chc webpanel See merge request mortengjerding/asr!364 02 December 2020, 09:25:54 UTC
1f47377 Merge branch 'fix-magstate-webpanel' into 'master' Fix multiple webpanels See merge request mortengjerding/asr!367 01 December 2020, 16:58:40 UTC
430602d Fix piezoelectric tensor labels 01 December 2020, 16:40:59 UTC
1a02dad Make bandstructure webpanel description 01 December 2020, 16:37:43 UTC
d8dbf31 Make general panel information prettier 01 December 2020, 16:24:31 UTC
a955134 Fix webpanel 01 December 2020, 15:48:53 UTC
c1f04d1 Describe bader panel 01 December 2020, 14:59:06 UTC
e0c92bc BSE panel description 01 December 2020, 14:54:44 UTC
9ee6abe Make piezoelectric tensor description 01 December 2020, 14:52:34 UTC
0805189 Raman panel description 01 December 2020, 14:49:37 UTC
a9e01f1 Infrared pol panel description 01 December 2020, 14:49:10 UTC
2c32106 Polarizability panel description 01 December 2020, 14:43:45 UTC
05c81c4 Borncharge panel description 01 December 2020, 14:41:44 UTC
e88be8d GW panel description 01 December 2020, 14:38:59 UTC
22b5919 Fermisurface panel descriptions 01 December 2020, 14:34:24 UTC
c35dd57 Panel PDOS and projected bs descriptions 01 December 2020, 14:31:19 UTC
c1ddf19 Describe effective masses panel 01 December 2020, 14:26:03 UTC
18c63c2 Add link to Daniele's article 01 December 2020, 14:24:22 UTC
1072f89 Describe magnetic anisotropy 01 December 2020, 14:22:54 UTC
d67f38c GS panel description 01 December 2020, 14:18:26 UTC
d6199c5 Phonon panel description 01 December 2020, 14:17:07 UTC
b6847b8 Stiffness panel description 01 December 2020, 14:15:56 UTC
5bee888 Make some general panel descriptions 01 December 2020, 14:14:17 UTC
b06b541 Fix excluding keys 01 December 2020, 13:08:54 UTC
76b82b8 Typo 01 December 2020, 13:08:45 UTC
a9baa3f Fix z-order of app div 01 December 2020, 13:00:18 UTC
54e694f Fix webpanel string 01 December 2020, 12:32:07 UTC
39b7a17 Merge branch 'fix-magstate-webpanel' into 'master' Print is_magnetic instead of magstate See merge request mortengjerding/asr!366 01 December 2020, 12:28:19 UTC
47d0168 Print is_magnetic instead of magstate 01 December 2020, 11:32:30 UTC
4aadecd Merge branch 'fix-structureinfo-berry' into 'master' Fix structureinfo and berry webpanels See merge request mortengjerding/asr!365 01 December 2020, 11:26:49 UTC
49a371e Fix berry webpanel if results are incomplete 01 December 2020, 10:30:34 UTC
a8c5d7d Typo 01 December 2020, 10:24:53 UTC
c3964c3 Fix structureinfo printing of COD id 01 December 2020, 10:24:32 UTC
54d1acd Some fixes to the chc webpanel 26 November 2020, 15:08:46 UTC
ff8014f Merge branch 'fix-emasses-webpanel-double-printing' into 'master' Give validate a separate result class without a webpanel See merge request mortengjerding/asr!363 26 November 2020, 15:02:19 UTC
bbf89f6 Fix emasses printing of webpanels twice 26 November 2020, 14:40:13 UTC
2f88f11 Merge branch 'fix-jsmol-bootstrap-import-order' into 'master' Fix jsmol bootstrap import order See merge request mortengjerding/asr!362 26 November 2020, 14:37:52 UTC
4a68b7c Give validate a separate result class without a webpanel 26 November 2020, 14:22:58 UTC
531f574 Fix max width for popover such that it doesn't overlap with jsmol app 26 November 2020, 14:18:36 UTC
af357c1 jsmol should be imported berfore bootstrap 26 November 2020, 14:17:33 UTC
85dd109 Merge branch 'fix-berry-webpanel' into 'master' Fix berry webpanel See merge request mortengjerding/asr!361 26 November 2020, 14:04:34 UTC
7dac288 Fix data representation with missing keys 26 November 2020, 13:42:08 UTC
db4f133 Fix berry webpanel 26 November 2020, 13:27:00 UTC
d990f8e Merge branch 'shg' into 'master' SHG and shift current recipe See merge request mortengjerding/asr!356 26 November 2020, 12:11:53 UTC
b799ca8 Merge branch 'fix-exchange' into 'master' Fix exchange See merge request mortengjerding/asr!359 26 November 2020, 12:08:41 UTC
32b501c Fix typo in berry webpanel 26 November 2020, 11:02:30 UTC
2e84fc1 Merge branch 'make-structureinfo-data-descriptions' into 'master' Make structureinfo data descriptions See merge request mortengjerding/asr!360 26 November 2020, 10:42:54 UTC
30de59f Make piezoelectrictensor tests xfail. This will be fixed when we fix the setup strains recipe 26 November 2020, 10:26:25 UTC
707cf47 Make question marks on summary webpanel 24 November 2020, 16:01:40 UTC
93d26e2 Small Bader web panel fixes 24 November 2020, 14:02:51 UTC
4f55eab Make crystal type data descriptor 24 November 2020, 13:35:36 UTC
56bad65 Merge branch 'emass-subscript' into 'master' Change emass subscript from e to 0 See merge request mortengjerding/asr!358 23 November 2020, 20:04:57 UTC
5c8ed9f Change emass subscript from e to 0 23 November 2020, 13:34:21 UTC
0a9a0ad Merge branch 'fix-help-layout' into 'master' Update templates and fix help button on panel See merge request mortengjerding/asr!357 19 November 2020, 16:31:37 UTC
e1d116a Update templates and fix help button on panel 19 November 2020, 14:46:44 UTC
09482a0 Fix style 19 November 2020, 09:23:25 UTC
3544e7d Fix typos and dimension 19 November 2020, 09:20:25 UTC
97ee43d Merge branch 'emassmare' into 'master' fix emasses return type See merge request mortengjerding/asr!355 19 November 2020, 08:30:00 UTC
62632b6 Make consistent return type 19 November 2020, 08:05:07 UTC
5be2928 Plot changes slightly, add a new input parameter 19 November 2020, 07:39:35 UTC
f037bb0 fix emasses return type 18 November 2020, 14:39:26 UTC
65e7646 Merge branch 'emassmare' into 'master' Add MARE to emasses See merge request mortengjerding/asr!352 18 November 2020, 13:58:48 UTC
edecac4 Dont use read_json in webpanel 18 November 2020, 13:31:22 UTC
80b9f93 Merge branch 'pdos-webpanel' into 'master' Pdos webpanel See merge request mortengjerding/asr!353 18 November 2020, 12:53:58 UTC
3840206 Merge branch 'fix-gw-dependencies' into 'master' Fix gw dependencies See merge request mortengjerding/asr!354 18 November 2020, 12:51:41 UTC
e44ac02 Fix writing of data keys 18 November 2020, 12:31:23 UTC
95bd19d Fix gw dependencies 18 November 2020, 09:10:05 UTC
fe97aea flake8 18 November 2020, 07:25:42 UTC
d473a96 added dependency comment and showed gs kpts and nbands 17 November 2020, 17:32:02 UTC
dcac623 add gs@calculate as a dependency in the parameter description of the projected band structure plot 17 November 2020, 17:28:16 UTC
5dfda46 add gs@calculate as a dependency in the parameter description of the pdos plot 17 November 2020, 17:22:01 UTC
73c986a added : 17 November 2020, 17:09:04 UTC
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