AiiDA plugin package "aiida-nwchem"
General information
Current state:
Short description: The official AiiDA plugin for NWChem
How to install: pip install aiida-nwchem
Source code: Go to the source code repository
Documentation: Go to plugin documentation
Detailed information
Author(s): The AiiDA team
Contact: developers@aiida.net
How to use from python: import aiida_nwchem
Most recent version: 2.1.0
Compatibility:
Plugins provided by the package
Calculations 1 Parsers 1 Workflows 1 Other (Tests) 1CalcJobs and calculation functions (aiida.calculations)
nwchem.nwchemclass aiida_nwchem.calculations.nwchem:NwchemCalculation
CalcJob parsers (aiida.parsers)
nwchem.nwchemclass aiida_nwchem.parsers.nwchem:NwchemBaseParser
WorkChains and work functions (aiida.workflows)
nwchem.baseclass aiida_nwchem.workflows.base:NwchemBaseWorkChain
Development test modules (aiida.tests)
nwchem.tcodexporterclass aiida_nwchem.tests.tcodexporter