AiiDA plugin package "aiida-kkr"
General information
Current state:
Short description: AiiDA plugin for the KKR code
How to install: pip install aiida-kkr
Source code: Go to the source code repository
Documentation: Go to plugin documentation
Detailed information
Author(s): Philipp Ruessmann, Jens Broeder, Fabian Bertoldo
Contact: p.ruessmann@fz-juelich.de
How to use from python: import aiida_kkr
Most recent version: 1.1.10
Compatibility:
Plugins provided by the package
Calculations 4 Parsers 4 Data 1 Workflows 9 Console scripts 1CalcJobs and calculation functions (aiida.calculations)
kkr.kkr
class aiida_kkr.calculations.kkr:KkrCalculationkkr.kkrimp
class aiida_kkr.calculations.kkrimp:KkrimpCalculationkkr.kkrimporter
class aiida_kkr.calculations.kkrimporter:KkrImporterCalculationkkr.voro
class aiida_kkr.calculations.voro:VoronoiCalculation
Data node types (aiida.data)
kkr.kkrstructure
class aiida_kkr.data.kkrstructure:KkrstructureData
CalcJob parsers (aiida.parsers)
kkr.kkrimporterparser
class aiida_kkr.parsers.kkrimporter:KkrImporterParserkkr.kkrimpparser
class aiida_kkr.parsers.kkrimp:KkrimpParserkkr.kkrparser
class aiida_kkr.parsers.kkr:KkrParserkkr.voroparser
class aiida_kkr.parsers.voro:VoronoiParser
WorkChains and work functions (aiida.workflows)
kkr.check_mag
class aiida_kkr.workflows.check_magnetic_state:kkr_check_mag_wckkr.convergence_check
class aiida_kkr.workflows.check_para_convergence:kkr_check_para_wckkr.dos
class aiida_kkr.workflows.dos:kkr_dos_wckkr.eos
class aiida_kkr.workflows.eos:kkr_eos_wckkr.gf_writeout
class aiida_kkr.workflows.gf_writeout:kkr_flex_wckkr.imp
class aiida_kkr.workflows.kkr_imp:kkr_imp_wckkr.imp_sub
class aiida_kkr.workflows.kkr_imp_sub:kkr_imp_sub_wckkr.scf
class aiida_kkr.workflows.kkr_scf:kkr_scf_wckkr.startpot
class aiida_kkr.workflows.voro_start:kkr_startpot_wc
Console scripts (console_scripts)
kkrstructure
class aiida_kkr.cmdline.data_cli:cli