Kohei Shinohara

`block_sub_info` looks to be the second item from `pyblock.reblock` (if we use 1-base indexing in natural language).

The current `BandsWorkChain` takes `inputs.smearing.(gaussian|sigma)` to control `ISMEAR` and `SIGMA`. [https://github.com/aiida-vasp/aiida-vasp/blob/c41eef0d333b3918ec21874055eb086b11224aa7/aiida_vasp/workchains/bands.py#L31-L32](https://github.com/aiida-vasp/aiida-vasp/blob/c41eef0d333b3918ec21874055eb086b11224aa7/aiida_vasp/workchains/bands.py#L31-L32) If I understand correctly, the`inputs.smearing` namespace is fed to `inherit_and_merge_parameters`. Then, the same overriding can be archived just by...

Current `MasterWorkChain` does not seem to have inputs for setting smearing-related parameters (ISMEAR and SIGMA). I think it is better to add inputs for smearing as follows: ```python spec.input('smearing.tetra', valid_type=get_data_class('bool'),...

Unable to import a local file with conda

7

Please check these boxes before submitting your issue, thank you! - [ ] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else I use `Conda`,...

Fix example of `autodoc2_replace_annotations` and `autodoc2_replace_bases` to specify `list[tuple[int, int]]`.

(row|column)_style_hermite_normal_form do not return unique form

1

let H = AR, H is HNF of A, then H=(h_{ij}) should satisfy the following conditions: (1) h_{ij} = 0 (for i < j) (2) h_{ii} >= 0 (3) 0...