aiida-skeaf

AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code

status alpha

AiiDA >=1.6.4,<3

General information

Install pip install aiida-skeaf

Source code https://github.com/aiidaplugins/aiida-skeaf

Documentation https://aiida-skeaf.readthedocs.io/en/latest/

Author(s) Junfeng Qiao

Contact qiaojunfeng@outlook.com

Python import import aiida_skeaf

Registry checks

E004: Unable to retrieve plugin metadata, retrieve plugin info from 'https://pypi.org/pypi/aiida-skeaf/json' failed.<pre>Traceback (most recent call last): File "/home/runner/work/aiida-registry/aiida-registry/aiida_registry/utils.py", line 23, in fetch_file response.raise_for_status() File "/opt/hostedtoolcache/Python/3.10.20/x64/lib/python3.10/site-packages/requests/models.py", line 1021, in raise_for_status raise HTTPError(http_error_msg, response=self) requests.exceptions.HTTPError: 404 Client Error: Not Found for url: https://pypi.org/pypi/aiida-skeaf/json </pre>

E001: Failed to install plugin aiida-skeaf<pre>ERROR: Could not find a version that satisfies the requirement aiida-skeaf (from versions: none) ERROR: No matching distribution found for aiida-skeaf </pre>

Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Calculations 4 Parsers 2 Workflows 1

Entry points

CalcJobs and calculation functions aiida.calculations

skeaf.skeaf
aiida_skeaf.calculations.skeaf:SkeafCalculation
skeaf.wan2skeaf
aiida_skeaf.calculations.wan2skeaf:Wan2skeafCalculation
skeaf.create_bxsf_from_wannier90
aiida_skeaf.calculations.functions:create_bxsf_from_wannier90
skeaf.create_bxsf_from_file
aiida_skeaf.calculations.functions:create_bxsf_from_file

CalcJob parsers aiida.parsers

skeaf.skeaf
aiida_skeaf.parsers.skeaf:SkeafParser
skeaf.wan2skeaf
aiida_skeaf.parsers.wan2skeaf:Wan2skeafParser

WorkChains and work functions aiida.workflows

skeaf.skeaf
aiida_skeaf.workflows:SkeafWorkChain