AiiDA plugin package "aiida-quantumespresso"
General information
Current state:
Short description: The official AiiDA plugin for Quantum ESPRESSO
How to install: pip install aiida-quantumespresso
Source code: Go to the source code repository
Documentation: Go to plugin documentation
Detailed information
Author(s):
Contact: The AiiDA team <developers@aiida.net>
How to use from python: import aiida_quantumespresso
Most recent version: 3.5.2
Compatibility:
Plugins provided by the package
Calculations 16 Parsers 11 Data 1 Workflows 8 Console scripts 1 Other (Tools calculations, Tools data orbitals, Tools dbexporters tcod plugins) 5CalcJobs and calculation functions (aiida.calculations)
quantumespresso.cp
class aiida_quantumespresso.calculations.cp:CpCalculationquantumespresso.create_kpoints_from_distance
class aiida_quantumespresso.calculations.functions.create_kpoints_from_distance:create_kpoints_from_distancequantumespresso.dos
class aiida_quantumespresso.calculations.dos:DosCalculationquantumespresso.epw
class aiida_quantumespresso.calculations.epw:EpwCalculationquantumespresso.matdyn
class aiida_quantumespresso.calculations.matdyn:MatdynCalculationquantumespresso.namelists
class aiida_quantumespresso.calculations.namelists:NamelistsCalculationquantumespresso.neb
class aiida_quantumespresso.calculations.neb:NebCalculationquantumespresso.ph
class aiida_quantumespresso.calculations.ph:PhCalculationquantumespresso.pp
class aiida_quantumespresso.calculations.pp:PpCalculationquantumespresso.projwfc
class aiida_quantumespresso.calculations.projwfc:ProjwfcCalculationquantumespresso.pw
class aiida_quantumespresso.calculations.pw:PwCalculationquantumespresso.pw2gw
class aiida_quantumespresso.calculations.pw2gw:Pw2gwCalculationquantumespresso.pw2wannier90
class aiida_quantumespresso.calculations.pw2wannier90:Pw2wannier90Calculationquantumespresso.pwimmigrant
class aiida_quantumespresso.calculations.pwimmigrant:PwimmigrantCalculationquantumespresso.q2r
class aiida_quantumespresso.calculations.q2r:Q2rCalculationquantumespresso.seekpath_structure_analysis
class aiida_quantumespresso.calculations.functions.seekpath_structure_analysis:seekpath_structure_analysis
Data node types (aiida.data)
quantumespresso.force_constants
class aiida_quantumespresso.data.force_constants:ForceConstantsData
CalcJob parsers (aiida.parsers)
quantumespresso.cp
class aiida_quantumespresso.parsers.cp:CpParserquantumespresso.dos
class aiida_quantumespresso.parsers.dos:DosParserquantumespresso.matdyn
class aiida_quantumespresso.parsers.matdyn:MatdynParserquantumespresso.neb
class aiida_quantumespresso.parsers.neb:NebParserquantumespresso.ph
class aiida_quantumespresso.parsers.ph:PhParserquantumespresso.pp
class aiida_quantumespresso.parsers.pp:PpParserquantumespresso.projwfc
class aiida_quantumespresso.parsers.projwfc:ProjwfcParserquantumespresso.pw
class aiida_quantumespresso.parsers.pw:PwParserquantumespresso.pw2gw
class aiida_quantumespresso.parsers.pw2gw:Pw2gwParserquantumespresso.pw2wannier90
class aiida_quantumespresso.parsers.pw2wannier90:Pw2wannier90Parserquantumespresso.q2r
class aiida_quantumespresso.parsers.q2r:Q2rParser
aiida.tools.calculations
quantumespresso.pw
class aiida_quantumespresso.tools.calculations.pw:PwCalculationTools
aiida.tools.data.orbitals
noncollinearhydrogen
class aiida_quantumespresso.tools.data.orbital.noncollinearhydrogen:NoncollinearHydrogenOrbitalspinorbithydrogen
class aiida_quantumespresso.tools.data.orbital.spinorbithydrogen:SpinorbitHydrogenOrbital
aiida.tools.dbexporters.tcod_plugins
quantumespresso.cp
class aiida_quantumespresso.tools.dbexporters.tcod_plugins.cp:CpTcodtranslatorquantumespresso.pw
class aiida_quantumespresso.tools.dbexporters.tcod_plugins.pw:PwTcodtranslator
WorkChains and work functions (aiida.workflows)
quantumespresso.matdyn.base
class aiida_quantumespresso.workflows.matdyn.base:MatdynBaseWorkChainquantumespresso.pdos
class aiida_quantumespresso.workflows.pdos:PdosWorkChainquantumespresso.ph.base
class aiida_quantumespresso.workflows.ph.base:PhBaseWorkChainquantumespresso.pw.band_structure
class aiida_quantumespresso.workflows.pw.band_structure:PwBandStructureWorkChainquantumespresso.pw.bands
class aiida_quantumespresso.workflows.pw.bands:PwBandsWorkChainquantumespresso.pw.base
class aiida_quantumespresso.workflows.pw.base:PwBaseWorkChainquantumespresso.pw.relax
class aiida_quantumespresso.workflows.pw.relax:PwRelaxWorkChainquantumespresso.q2r.base
class aiida_quantumespresso.workflows.q2r.base:Q2rBaseWorkChain
Console scripts (console_scripts)
aiida-quantumespresso
class aiida_quantumespresso.cli:cmd_root