AiiDA plugin package "aiida-vasp"
General information
Current state:
Short description: AiiDA Plugin for running VASP calculations.
How to install: pip install aiida-vasp
Source code: Go to the source code repository
Documentation: Go to plugin documentation
Detailed information
Author(s): Espen Flage-Larsen
Contact: espen.flage-larsen@sintef.no
How to use from python: import aiida_vasp
Most recent version: 2.1.1
Compatibility:
Plugins provided by the package
Calculations 2 Parsers 2 Data 5 Workflows 6 Console scripts 1 Other (Data commands) 1CalcJobs and calculation functions (aiida.calculations)
vasp.vasp
class aiida_vasp.calcs.vasp:VaspCalculationvasp.vasp2w90
class aiida_vasp.calcs.vasp2w90:Vasp2w90Calculation
verdi data commands (aiida.cmdline.data)
vasp-potcar
class aiida_vasp.commands.potcar:potcar
Data node types (aiida.data)
vasp.archive
class aiida_vasp.data.archive:ArchiveDatavasp.chargedensity
class aiida_vasp.data.chargedensity:ChargedensityDatavasp.potcar
class aiida_vasp.data.potcar:PotcarDatavasp.potcar_file
class aiida_vasp.data.potcar:PotcarFileDatavasp.wavefun
class aiida_vasp.data.wavefun:WavefunData
CalcJob parsers (aiida.parsers)
vasp.vasp
class aiida_vasp.parsers.vasp:VaspParservasp.vasp2w90
class aiida_vasp.parsers.vasp2w90:Vasp2w90Parser
WorkChains and work functions (aiida.workflows)
vasp.bands
class aiida_vasp.workchains.bands:BandsWorkChainvasp.converge
class aiida_vasp.workchains.converge:ConvergeWorkChainvasp.master
class aiida_vasp.workchains.master:MasterWorkChainvasp.relax
class aiida_vasp.workchains.relax:RelaxWorkChainvasp.vasp
class aiida_vasp.workchains.vasp:VaspWorkChainvasp.verify
class aiida_vasp.workchains.verify:VerifyWorkChain
Console scripts (console_scripts)
mock-vasp
class aiida_vasp.commands.mock_vasp:mock_vasp