aiida-strain

AiiDA Plugin for applying strain to structures

status alpha

General information

Install pip install aiida-strain

Source code https://github.com/greschd/aiida-strain

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

Author(s) Dominik Gresch

Contact greschd@gmx.ch

Python import import aiida_strain

Latest version 0.2.0

Released 2019-11-22

Registry checks

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

W002: AiiDA version not found

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

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

Plugins provided

Workflows 2

Entry points

WorkChains and work functions aiida.workflows

strain.apply_strains

class: aiida_strain:ApplyStrains

Workchain to create strained structures from a given input structure.

Input	Required	Valid types
`strain_kind`	true	`Str`
`strain_parameters`	true	`Str`
`strain_strengths`	true	`List`
`structure`	true	`StructureData`
`metadata`	false

Exit status	Message
1	The process has failed with an unspecified error.
2	The process failed with legacy failure mode.
10	The process returned an invalid output.
11	The process did not register a required output.

strain.apply_strains_with_symmetry

class: aiida_strain:ApplyStrainsWithSymmetry

Workchain to create strained structures from an input structure, and select the symmetries which are compatible with the strained structure from a set of given input symmetries.

Input	Required	Valid types
`strain_kind`	true	`Str`
`strain_parameters`	true	`Str`
`strain_strengths`	true	`List`
`structure`	true	`StructureData`
`symmetries`	true	`SinglefileData`
`symmetry_repr_code`	true	`Code`
`metadata`	false

Exit status	Message
1	The process has failed with an unspecified error.
2	The process failed with legacy failure mode.
10	The process returned an invalid output.
11	The process did not register a required output.