AiiDA plugin package "aiida-psi4"
General information
Current state:
Short description: AiiDA plugin for the Psi4 Quantum Chemistry package.
How to install: pip install git+https://github.com/ltalirz/aiida-psi4
Source code: Go to the source code repository
Documentation: No documentation provided by the package author
Detailed information
Author(s): Leopold Talirz
Contact: leopold.talirz@gmail.com
How to use from python: import aiida_psi4
Most recent version: 0.1.0a0
Compatibility:
Plugins provided by the package
Calculations 1 Parsers 1 Data 1CalcJobs and calculation functions (aiida.calculations)
psi4class aiida_psi4.calculations:Psi4Calculation
Data node types (aiida.data)
psi4.atomic_inputclass aiida_psi4.data:AtomicInput
CalcJob parsers (aiida.parsers)
psi4class aiida_psi4.parsers:QCSchemaParser