aiidateam aiida-wannier90 issues

aiidateam / aiida-wannier90

AiiDA plugin for the Wannier90 code

https://aiida-wannier90.readthedocs.io

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issues

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Support Python 3.12, drop 3.8

#123 qiaojunfeng closed 6 months ago
0
Use fixed number of digits for kpoint coordinates

#122 qiaojunfeng closed 6 months ago
0
Edit the retrieve_list to include more werr files

#121 jiang-yuha0 closed 10 months ago
1
Fix codecov

#120 qiaojunfeng closed 1 year ago
1
Lower python version due to readthedocs

#119 qiaojunfeng closed 1 year ago
1
Support aiida 2.0

#118 qiaojunfeng closed 1 year ago
1
update to aiida-core v2

#117 chrisjsewell closed 1 year ago
0
added generate_projections for List and Dict

#116 louisponet opened 2 years ago
1
Update the build status badge in README.md

#115 qiaojunfeng closed 3 years ago
1
Add tests for exclude_bands

#114 qiaojunfeng closed 3 years ago
1
Drop support for python 3.6

#113 qiaojunfeng closed 3 years ago
1
Add an exit code for bvectors error

#112 qiaojunfeng closed 3 years ago
1
Also parse initial centres and spreads in the output

#111 qiaojunfeng closed 3 years ago
1
Fix bug for excluding a single band

#110 qiaojunfeng closed 3 years ago
1
Check that exclude_bands values are positive.

#109 greschd closed 3 years ago
1
Move from Travis CI to Github Actions.

#108 greschd closed 3 years ago
7
Fix 'launch_w90_minimal' example

#107 greschd opened 3 years ago
0
Make tests compatible with aiida-core v1.4+

#106 greschd closed 4 years ago
0
Fix typo in checking that there is no input_folder in -pp mode

#105 greschd closed 4 years ago
4
Set the `invalidates_cache` keyword for certain exit codes.

#104 greschd closed 4 years ago
0
Add a check to see that the 'all done' message is printed

#103 greschd opened 4 years ago
1
Define exit codes that should invalidate the cache

#102 greschd closed 4 years ago
2
Storage of mmn file (and other large files)

#101 greschd closed 4 years ago
3
Other tools support in wannier90 packge for this plugin.

#100 hongyi-zhao opened 4 years ago
5
Include a parser for the input file

#99 espenfl opened 4 years ago
21
Release v2.0.1 in develop

#98 giovannipizzi closed 4 years ago
1
Release 2.0.1

#97 giovannipizzi closed 4 years ago
0
Add missing outputs of MinimalW90WorkChain

#96 qiaojunfeng closed 4 years ago
0
Complain if we couldn't guess the `mp_grid` and it was not set by the user

#95 giovannipizzi opened 4 years ago
0
Remove python2 support

#94 greschd closed 4 years ago
0
Remove Python2 support

#93 greschd closed 4 years ago
1
Merge master in develop after releasing 2.0

#92 giovannipizzi closed 4 years ago
0
Update documentation

#91 giovannipizzi closed 4 years ago
0
Use error codes in the parser rather than just outputting human-readable strings

#90 giovannipizzi opened 4 years ago
3
Release/2.0.0

#89 greschd closed 4 years ago
2
parse labelinfo.dat to get kpoint labels in band_parser

#88 qiaojunfeng closed 4 years ago
0
Adding tests for spinor projections

#87 giovannipizzi closed 4 years ago
0
Use aiida calcjob directive in documentation

#86 greschd closed 4 years ago
0
Adding test to check how projections are created

#85 giovannipizzi closed 4 years ago
0
Addition README file to GaAs example

#84 normarivano closed 4 years ago
0
Remove opening transport in 'prepare_for_submission'

#83 greschd closed 4 years ago
8
Add parsing of .labelinfo.dat

#82 giovannipizzi closed 4 years ago
2
Additional test for orbital projections and fixes

#81 normarivano closed 4 years ago
0
Update list of optional input files

#80 greschd closed 4 years ago
0
Change logic of retrieved files

#79 greschd closed 4 years ago
0
Parser key names improvements

#78 normarivano closed 4 years ago
1
Example of GaAs wannierization workchain (no scdm)

#77 normarivano closed 4 years ago
0
Mutually exclusive remote_input_folder and local_input_folder

#76 greschd closed 4 years ago
8
Add missing __all__ in various files

#75 greschd closed 4 years ago
0
Make dependence on ASE explicit

#74 greschd closed 4 years ago
0