AiiDA plugin package "aiida-gaussian-datatypes"
General information
Current state:
Short description: AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
How to install: pip install aiida-gaussian-datatypes
Source code: Go to the source code repository
Documentation: Go to plugin documentation
Detailed information
Author(s): Tiziano Müller
Contact: tiziano.mueller@chem.uzh.ch
How to use from python: import aiida_gaussian_datatypes
Most recent version: 0.5.1
Compatibility:
Plugins provided by the package
Data 2 Other (Data commands, Groups) 4verdi data commands (aiida.cmdline.data)
gaussian.basisset
class aiida_gaussian_datatypes.basisset.cli:cligaussian.pseudo
class aiida_gaussian_datatypes.pseudopotential.cli:cli
Data node types (aiida.data)
gaussian.basisset
class aiida_gaussian_datatypes.basisset.data:BasisSetgaussian.pseudo
class aiida_gaussian_datatypes.pseudopotential.data:Pseudopotential
Group types (aiida.groups)
gaussian.basisset
class aiida_gaussian_datatypes.groups:BasisSetGroupgaussian.pseudo
class aiida_gaussian_datatypes.groups:PseudopotentialGroup