bastonero/aiida-vibroscopy

Issues

• Update cd workflow tests

  #80 opened 2 months ago by bastonero
  0

• Tests don't pass with phonopy versions >= 2.26

  #77 opened 2 months ago by bastonero
  0

• Generation of k-point meshes crashes for non-periodic systems

  #45 opened a year ago by bastonero
  1

• `Harmonic`: validation is complaining when `dielectric` is not in input

  #74 opened 2 months ago by bastonero
  0

• Add ionic contribution to dielectric constant

  #73 opened 3 months ago by Sokseiha
  2

• Add AiiDAlab reference in documentation

  #72 opened 3 months ago by bastonero
  0

• Sign in BECs is opposite

  #71 opened 4 months ago by bastonero
  1

• Docs: update local module pseudos to SSSP v1.3

  #69 opened 4 months ago by bastonero
  0

• Add the possibility of submitting `max_concurrent_base_workchains`

  #52 opened 10 months ago by bastonero
  2

• Consider switching from `pylint` to `ruff`

  #38 opened a year ago by bastonero
  0

• `PhononWorkChain`: the `conv_thr` when using protocols refers to unitcell

  #66 opened 6 months ago by bastonero
  0

• `IRamanSpectraWorkChain`: the `IntensitiesAverageWorkChain` is not called correctly

  #65 opened 6 months ago by bastonero
  0

• Missing f-string Specifier in PhononWorkChain

  #61 opened 7 months ago by eric-read
  3

• Docs: typo in how tos

  #46 opened 7 months ago by bastonero
  1

• Introduce a `CHANGELOG` file

  #43 opened 7 months ago by bastonero
  1

• `pyproject.toml` reports the wrong license terms

  #37 opened a year ago by bastonero
  0

• Add development guide

  #36 opened a year ago by bastonero
  0

• Support properties at finite electric fields

  #12 opened 2 years ago by bastonero
  0

• Report in the WorkChains log symmetry warnings

  #13 opened a year ago by bastonero
  1

• Bug in `inspect_electric_field_scfs` in `DielectricWorkChain`

  #14 opened a year ago by bastonero
  1

• Write the `Documentation`

  #10 opened a year ago by bastonero
  1

• Expose `kpoints` inputs in WorkChains

  #9 opened a year ago by bastonero
  1

• Bug: implement case scenario for high symmetry crystals

  #7 opened a year ago by bastonero
  1

• Add missing `tests`

  #11 opened a year ago by bastonero
  1

• `quadpy` is now with license

  #15 opened a year ago by bastonero
  0