AiiDA plugin package "aiida-gaussian"
General information
Current state:
Short description: AiiDA plugin for the Gaussian quantum chemistry software
How to install: pip install aiida-gaussian
Source code: Go to the source code repository
Documentation: No documentation provided by the package author
Detailed information
Author(s): Kristjan Eimre, Pezhman Zarabadi-Poor
Contact: kristjaneimre@gmail.com
How to use from python: import aiida_gaussian
Most recent version: 1.4.1
Compatibility:
Plugins provided by the package
Calculations 3 Parsers 3 Workflows 2CalcJobs and calculation functions (aiida.calculations)
gaussianclass aiida_gaussian.calculations:GaussianCalculationgaussian.formchkclass aiida_gaussian.calculations:FormchkCalculationgaussian.cubegenclass aiida_gaussian.calculations:CubegenCalculation
CalcJob parsers (aiida.parsers)
gaussian.baseclass aiida_gaussian.parsers.gaussian:GaussianBaseParsergaussian.advancedclass aiida_gaussian.parsers.gaussian:GaussianAdvancedParsergaussian.cubegen_baseclass aiida_gaussian.parsers.cubegen:CubegenBaseParser
WorkChains and work functions (aiida.workflows)
gaussian.baseclass aiida_gaussian.workchains:GaussianBaseWorkChaingaussian.cubesclass aiida_gaussian.workchains:GaussianCubesWorkChain