AiiDA plugin package "aiida-qeq"
General information
Current state:
Short description: AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).
How to install: pip install aiida-qeq
Source code: Go to the source code repository
Documentation: No documentation provided by the package author
Detailed information
Author(s): Leopold Talirz, Daniele Ongari
Contact: leopold.talirz@gmail.com
How to use from python: import aiida_qeq
Most recent version: 0.1.0
Compatibility:
Plugins provided by the package
Calculations 2 Parsers 2 Data 2CalcJobs and calculation functions (aiida.calculations)
qeq.eqeq
class aiida_qeq.calculations.eqeq:EQeqCalculationqeq.qeq
class aiida_qeq.calculations.qeq:QeqCalculation
Data node types (aiida.data)
qeq.eqeq
class aiida_qeq.data.eqeq:EQeqParametersqeq.qeq
class aiida_qeq.data.qeq:QeqParameters
CalcJob parsers (aiida.parsers)
qeq.eqeq
class aiida_qeq.parsers.eqeq:EQeqParserqeq.qeq
class aiida_qeq.parsers.qeq:QeqParser