aiida-catmat

Collection of AiiDA WorkChains Developed in Morgan Group

status beta

General information

Install pip install --pre aiida-catmat

Source code https://github.com/pzarabadip/aiida-catmat

Documentation https://aiida-catmat.readthedocs.io/

Author(s) Pezhman Zarabadi-Poor

Contact pzarabadip@gmail.com

Python import import aiida_catmat

Latest version 1.0.0b0

Released 2022-07-21

Registry checks

W019: No <code>bdist_wheel</code> available for PyPI release.

W002: AiiDA version not found

W003: Missing classifier 'Framework :: AiiDA'

W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.

W008: Unable to reach documentation URL: https://aiida-catmat.readthedocs.io/

W010: Entry point 'vasp_base_parser' does not start with prefix 'catmat.'

W010: Entry point 'vasp.base' does not start with prefix 'catmat.'

E001: Failed to install plugin aiida-catmat<pre>Collecting aiida-catmat Downloading aiida-catmat-1.0.0b0.tar.gz (27 kB) Preparing metadata (setup.py): started Preparing metadata (setup.py): finished with status 'done' ERROR: Packages installed from PyPI cannot depend on packages which are not also hosted on PyPI. aiida-catmat depends on aiida-vasp@ git+https://github.com/aiida-vasp/aiida-vasp.git@14771c14ac5ccb08ac521d5936eb0c4ec5b9337f </pre>

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

Plugins provided

Parsers 1 Workflows 5

Entry points

CalcJob parsers aiida.parsers

vasp_base_parser
aiida_catmat.parsers:VaspBaseParser

WorkChains and work functions aiida.workflows

vasp.base
aiida_catmat.workchains:VaspBaseWorkChain
catmat.vasp_multistage
aiida_catmat.workchains:VaspMultiStageWorkChain
catmat.vasp_converge
aiida_catmat.workchains:VaspConvergeWorkChain
catmat.vasp_catmat
aiida_catmat.workchains:VaspCatMatWorkChain
catmat.vasp_multistage_ddec
aiida_catmat.workchains:VaspMultiStageDdecWorkChain