aiidateam/aiida-wannier90

Issues

• update to aiida-core v2

  #117 opened a year ago by chrisjsewell
  0

• Include a parser for the input file

  #99 opened 4 years ago by espenfl
  21

• Fix 'launch_w90_minimal' example

  #107 opened 4 years ago by greschd
  0

• Add a check to see that the 'all done' message is printed

  #103 opened 4 years ago by greschd
  1

• Define exit codes that should invalidate the cache

  #102 opened 4 years ago by greschd
  2

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

  #90 opened 5 years ago by giovannipizzi
  3

• Storage of mmn file (and other large files)

  #101 opened 4 years ago by greschd
  3

• Other tools support in wannier90 packge for this plugin.

  #100 opened 4 years ago by hongyi-zhao
  5

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

  #95 opened 5 years ago by giovannipizzi
  0

• Remove Python2 support

  #93 opened 5 years ago by greschd
  1

• status of plugin

  #62 opened 5 years ago by ltalirz
  9

• Add parsing of .labelinfo.dat

  #82 opened 5 years ago by giovannipizzi
  2

• Create tests which verify the full inputs

  #10 opened 5 years ago by greschd
  2

• Calculation reference is missing on RTD

  #22 opened 5 years ago by greschd
  0

• Mutually exclusive remote_input_folder and local_input_folder

  #76 opened 5 years ago by greschd
  8

• Remove opening transport during `prepare_for_submission`

  #37 opened 5 years ago by giovannipizzi
  6

• Incorrect projection when radial_nodes is None but diffusivity is not

  #9 opened 5 years ago by greschd
  4

• add option for default input file of W90

  #19 opened 5 years ago by giovannipizzi
  1

• Cleanup/Modernize the examples directory

  #30 opened 5 years ago by DanielMarchand
  3

• Add documentation to the plugin

  #17 opened 5 years ago by giovannipizzi
  5

• Address the issues mentioned by "NOTE" in calculations.py

  #31 opened 5 years ago by DanielMarchand
  2

• Further parser improvements

  #70 opened 5 years ago by normarivano
  0

• name of "retrieve_hoppings"

  #14 opened 5 years ago by AntimoMarrazzo
  8

• Add u matrix files to list of files to retrieve

  #69 opened 5 years ago by greschd
  1

• Fix missing __all__ in various places

  #68 opened 5 years ago by greschd
  1

• Undesirable dependence on ase in utils.py

  #71 opened 5 years ago by normarivano
  2

• Reactivate precommit prospector

  #46 opened 5 years ago by giovannipizzi
  3

• Travis: doc build broken for python3

  #72 opened 5 years ago by greschd
  0

• random projections as default

  #15 opened 5 years ago by AntimoMarrazzo
  5

• Should tests running Wannier90 be kept?

  #56 opened 5 years ago by greschd
  0

• Migrate from (ab-)using 'cache' for test data to 'pytest-datadir' and / or 'pytest-regressions'

  #53 opened 5 years ago by greschd
  0

• Add travis tests for the documentation (that is now failing)

  #48 opened 5 years ago by giovannipizzi
  1

• Should `.pytest_cache/v/test_win_writer` be in the repo?

  #50 opened 5 years ago by giovannipizzi
  2

• import of aiida_wannier90 triggers load_profile

  #36 opened 5 years ago by ltalirz
  5

• Update test_local_input.py to use the current testing framework

  #28 opened 5 years ago by DanielMarchand
  5

• Update the testing config.yml to be system-generic (or at least run on travis)

  #29 opened 5 years ago by DanielMarchand
  2

• Update how 'create_gaas_calc' is handled

  #27 opened 5 years ago by DanielMarchand
  2

• AttributeError: module 'aiida.common' has no attribute 'setup'

  #25 opened 5 years ago by DanielMarchand
  6

• Remove import-time dbenv loading

  #13 opened 5 years ago by greschd
  1

• Enable branch protections

  #40 opened 5 years ago by greschd
  4

• Fix failing tests in develop

  #45 opened 5 years ago by giovannipizzi
  2

• Change the .travis.yml to use the correct dependencies

  #47 opened 5 years ago by giovannipizzi
  3

• Reactivate pre-commit hooks and linters

  #43 opened 5 years ago by normarivano
  0

• Pymatgen's "monty" dependency seems to break Python 2 compatibility

  #39 opened 5 years ago by greschd
  1

• Add tests (travis)

  #18 opened 7 years ago by giovannipizzi
  7

• kpoint_path format

  #20 opened 7 years ago by AntimoMarrazzo
  8

• running dft and wannier90 on different clusters

  #16 opened 7 years ago by AntimoMarrazzo
  0

• Add functionality to detect failed run

  #8 opened 7 years ago by greschd
  3

• Allow prefix other than aiida

  #12 opened 7 years ago by greschd
  0

• Allow kpoints to be set explicitly

  #11 opened 7 years ago by greschd
  0