aiidateam/aiida-wannier90 issues and pull requests

#123 - Support Python 3.12, drop 3.8

Pull Request - State: closed - Opened by qiaojunfeng 10 months ago

#122 - Use fixed number of digits for kpoint coordinates

Pull Request - State: closed - Opened by qiaojunfeng 10 months ago

#121 - Edit the retrieve_list to include more werr files

Pull Request - State: closed - Opened by jiang-yuha0 about 1 year ago - 1 comment

#120 - Fix codecov

Pull Request - State: closed - Opened by qiaojunfeng over 1 year ago - 1 comment

#119 - Lower python version due to readthedocs

Pull Request - State: closed - Opened by qiaojunfeng over 1 year ago - 1 comment

#118 - Support aiida 2.0

Pull Request - State: closed - Opened by qiaojunfeng over 1 year ago - 1 comment

#117 - update to aiida-core v2

Issue - State: closed - Opened by chrisjsewell almost 2 years ago

#116 - added generate_projections for List and Dict

Pull Request - State: open - Opened by louisponet about 3 years ago - 1 comment

#115 - Update the build status badge in README.md

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#115 - Update the build status badge in README.md

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#114 - Add tests for exclude_bands

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#114 - Add tests for exclude_bands

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#113 - Drop support for python 3.6

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#113 - Drop support for python 3.6

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#112 - Add an exit code for bvectors error

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#112 - Add an exit code for bvectors error

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#111 - Also parse initial centres and spreads in the output

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#111 - Also parse initial centres and spreads in the output

Pull Request - State: closed - Opened by qiaojunfeng over 3 years ago - 1 comment

#110 - Fix bug for excluding a single band

Pull Request - State: closed - Opened by qiaojunfeng almost 4 years ago - 1 comment

#110 - Fix bug for excluding a single band

Pull Request - State: closed - Opened by qiaojunfeng almost 4 years ago - 1 comment

#109 - Check that exclude_bands values are positive.

Pull Request - State: closed - Opened by greschd almost 4 years ago - 1 comment

#108 - Move from Travis CI to Github Actions.

Pull Request - State: closed - Opened by greschd about 4 years ago - 7 comments

#108 - Move from Travis CI to Github Actions.

Pull Request - State: closed - Opened by greschd about 4 years ago - 7 comments

#107 - Fix 'launch_w90_minimal' example

Issue - State: open - Opened by greschd about 4 years ago
Labels: bug, prioriy/nice-to-have

#107 - Fix 'launch_w90_minimal' example

Issue - State: open - Opened by greschd about 4 years ago
Labels: bug, prioriy/nice-to-have

#106 - Make tests compatible with aiida-core v1.4+

Pull Request - State: closed - Opened by greschd over 4 years ago

#106 - Make tests compatible with aiida-core v1.4+

Pull Request - State: closed - Opened by greschd over 4 years ago

#105 - Fix typo in checking that there is no input_folder in -pp mode

Pull Request - State: closed - Opened by greschd over 4 years ago - 4 comments

#104 - Set the `invalidates_cache` keyword for certain exit codes.

Pull Request - State: closed - Opened by greschd over 4 years ago

#104 - Set the `invalidates_cache` keyword for certain exit codes.

Pull Request - State: closed - Opened by greschd over 4 years ago

#103 - Add a check to see that the 'all done' message is printed

Issue - State: open - Opened by greschd over 4 years ago - 1 comment
Labels: enhancement, prioriy/nice-to-have

#103 - Add a check to see that the 'all done' message is printed

Issue - State: open - Opened by greschd over 4 years ago - 1 comment
Labels: enhancement, prioriy/nice-to-have

#102 - Define exit codes that should invalidate the cache

Issue - State: closed - Opened by greschd over 4 years ago - 2 comments
Labels: enhancement, prioriy/nice-to-have

#101 - Storage of mmn file (and other large files)

Issue - State: closed - Opened by greschd over 4 years ago - 3 comments

#101 - Storage of mmn file (and other large files)

Issue - State: closed - Opened by greschd over 4 years ago - 3 comments

#100 - Other tools support in wannier90 packge for this plugin.

Issue - State: open - Opened by hongyi-zhao almost 5 years ago - 5 comments

#100 - Other tools support in wannier90 packge for this plugin.

Issue - State: open - Opened by hongyi-zhao almost 5 years ago - 5 comments

#99 - Include a parser for the input file

Issue - State: open - Opened by espenfl almost 5 years ago - 21 comments

#98 - Release v2.0.1 in develop

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago - 1 comment

#98 - Release v2.0.1 in develop

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago - 1 comment

#97 - Release 2.0.1

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#97 - Release 2.0.1

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#96 - Add missing outputs of MinimalW90WorkChain

Pull Request - State: closed - Opened by qiaojunfeng almost 5 years ago

#96 - Add missing outputs of MinimalW90WorkChain

Pull Request - State: closed - Opened by qiaojunfeng almost 5 years ago

#95 - Complain if we couldn't guess the `mp_grid` and it was not set by the user

Issue - State: open - Opened by giovannipizzi almost 5 years ago

#95 - Complain if we couldn't guess the `mp_grid` and it was not set by the user

Issue - State: open - Opened by giovannipizzi almost 5 years ago

#94 - Remove python2 support

Pull Request - State: closed - Opened by greschd almost 5 years ago

#94 - Remove python2 support

Pull Request - State: closed - Opened by greschd almost 5 years ago

#93 - Remove Python2 support

Issue - State: closed - Opened by greschd almost 5 years ago - 1 comment

#93 - Remove Python2 support

Issue - State: closed - Opened by greschd almost 5 years ago - 1 comment

#92 - Merge master in develop after releasing 2.0

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#92 - Merge master in develop after releasing 2.0

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#91 - Update documentation

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#91 - Update documentation

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#90 - Use error codes in the parser rather than just outputting human-readable strings

Issue - State: open - Opened by giovannipizzi almost 5 years ago - 3 comments
Labels: enhancement, priority/important

#90 - Use error codes in the parser rather than just outputting human-readable strings

Issue - State: open - Opened by giovannipizzi almost 5 years ago - 3 comments
Labels: enhancement, priority/important

#89 - Release/2.0.0

Pull Request - State: closed - Opened by greschd almost 5 years ago - 2 comments

#89 - Release/2.0.0

Pull Request - State: closed - Opened by greschd almost 5 years ago - 2 comments

#88 - parse labelinfo.dat to get kpoint labels in band_parser

Pull Request - State: closed - Opened by qiaojunfeng almost 5 years ago

#88 - parse labelinfo.dat to get kpoint labels in band_parser

Pull Request - State: closed - Opened by qiaojunfeng almost 5 years ago

#87 - Adding tests for spinor projections

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#87 - Adding tests for spinor projections

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#86 - Use aiida calcjob directive in documentation

Pull Request - State: closed - Opened by greschd almost 5 years ago

#85 - Adding test to check how projections are created

Pull Request - State: closed - Opened by giovannipizzi almost 5 years ago

#84 - Addition README file to GaAs example

Pull Request - State: closed - Opened by normarivano almost 5 years ago

#83 - Remove opening transport in 'prepare_for_submission'

Pull Request - State: closed - Opened by greschd almost 5 years ago - 8 comments

#82 - Add parsing of .labelinfo.dat

Issue - State: closed - Opened by giovannipizzi almost 5 years ago - 2 comments
Labels: enhancement

#82 - Add parsing of .labelinfo.dat

Issue - State: closed - Opened by giovannipizzi almost 5 years ago - 2 comments
Labels: enhancement

#81 - Additional test for orbital projections and fixes

Pull Request - State: closed - Opened by normarivano almost 5 years ago

#81 - Additional test for orbital projections and fixes

Pull Request - State: closed - Opened by normarivano almost 5 years ago

#80 - Update list of optional input files

Pull Request - State: closed - Opened by greschd almost 5 years ago

#80 - Update list of optional input files

Pull Request - State: closed - Opened by greschd almost 5 years ago

#79 - Change logic of retrieved files

Pull Request - State: closed - Opened by greschd almost 5 years ago

#78 - Parser key names improvements

Pull Request - State: closed - Opened by normarivano almost 5 years ago - 1 comment

#78 - Parser key names improvements

Pull Request - State: closed - Opened by normarivano almost 5 years ago - 1 comment

#77 - Example of GaAs wannierization workchain (no scdm)

Pull Request - State: closed - Opened by normarivano almost 5 years ago

#77 - Example of GaAs wannierization workchain (no scdm)

Pull Request - State: closed - Opened by normarivano almost 5 years ago

#76 - Mutually exclusive remote_input_folder and local_input_folder

Issue - State: closed - Opened by greschd about 5 years ago - 8 comments

#76 - Mutually exclusive remote_input_folder and local_input_folder

Issue - State: closed - Opened by greschd about 5 years ago - 8 comments

#75 - Add missing all in various files

Pull Request - State: closed - Opened by greschd about 5 years ago

#74 - Make dependence on ASE explicit

Pull Request - State: closed - Opened by greschd about 5 years ago

#73 - Fix doc build for python3

Pull Request - State: closed - Opened by greschd about 5 years ago

#72 - Travis: doc build broken for python3

Issue - State: closed - Opened by greschd about 5 years ago

#71 - Undesirable dependence on ase in utils.py

Issue - State: closed - Opened by normarivano about 5 years ago - 2 comments

#70 - Further parser improvements

Issue - State: open - Opened by normarivano about 5 years ago
Labels: enhancement

#69 - Add u matrix files to list of files to retrieve

Issue - State: closed - Opened by greschd about 5 years ago - 1 comment

#68 - Fix missing all in various places

Issue - State: closed - Opened by greschd about 5 years ago - 1 comment

#67 - Acknowledge Swissuniversities in the README file and add its logo

Pull Request - State: closed - Opened by borellim about 5 years ago - 1 comment

#66 - Fix import

Pull Request - State: closed - Opened by qiaojunfeng about 5 years ago

#65 - Pytest fixes and reactivate precommit prospector

Pull Request - State: closed - Opened by normarivano about 5 years ago - 2 comments

#65 - Pytest fixes and reactivate precommit prospector

Pull Request - State: closed - Opened by normarivano about 5 years ago - 2 comments

#64 - Fix use of outdated 'get_attr' when specifying projections as list

Pull Request - State: closed - Opened by greschd about 5 years ago

#64 - Fix use of outdated 'get_attr' when specifying projections as list

Pull Request - State: closed - Opened by greschd about 5 years ago

#63 - Add "python_requires" to setup.json

Pull Request - State: closed - Opened by greschd about 5 years ago

#63 - Add "python_requires" to setup.json

Pull Request - State: closed - Opened by greschd about 5 years ago

#63 - Add "python_requires" to setup.json

Pull Request - State: closed - Opened by greschd about 5 years ago

#62 - status of plugin

Issue - State: closed - Opened by ltalirz about 5 years ago - 9 comments

#62 - status of plugin

Issue - State: closed - Opened by ltalirz about 5 years ago - 9 comments

#61 - Make projections not required

Pull Request - State: closed - Opened by greschd about 5 years ago

#61 - Make projections not required

Pull Request - State: closed - Opened by greschd about 5 years ago

GitHub / aiidateam/aiida-wannier90 issues and pull requests