Details for AiiDA plugin "aiida-castep"
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General information
Current state:
Documentation: Go to plugin documentation
Detailed information
Author(s): Bonan Zhu
Short description: AiiDA plugin for CASTEP
Package name (for pip): aiida-castep
How to use from python: import aiida_castep
Most recent version: 0.3.0
Summary of the entrypoints
This plugin contains:Calculations 5 Parsers 2 Data 2 Other (Tests, Cmdline data) 6
Available entrypoints
Calculation plugins (aiida.calculations)
castep.castep
class aiida_castep.calculations.castep:CastepCalculationcastep.bs
class aiida_castep.calculations.castep:CastepBSCalculationcastep.spec
class aiida_castep.calculations.castep:CastepSpectralCalculationcastep.pot1d
class aiida_castep.calculations.castep:Pot1dCalculationcastep.ts
class aiida_castep.calculations.castep:CastepTSCalculationCalculation parsers (aiida.parsers)
castep.castep
class aiida_castep.parsers.castep:CastepParsercastep.pot1d
class aiida_castep.parsers.castep:Pot1dParserData types (aiida.data)
castep.uspdata
class aiida_castep.data.usp:UspDatacastep.otfgdata
class aiida_castep.data.otfg:OTFGDataDevelopment test modules (aiida.tests)
castep.calculation
class aiida_castep.tests.dbtestcalculationcastep.data
class aiida_castep.tests.dbtestdatacastep.parser
class aiida_castep.tests.dbtestparseraiida.cmdline.data
castep-usp
class aiida_castep.cmdline.usp_cmd:usp_cmdcastep-otfg
class aiida_castep.cmdline.otfg_cmd:otfg_cmdcastep-helper
class aiida_castep.cmdline.helper_cmd:helper_cmd