abics.applications.latgas_abinitio_interface.defect module¶

class abics.applications.latgas_abinitio_interface.defect.DFTConfigParams(dconfig)[source]¶

Bases: object

Get information from dictionary

Parameters: dconfig (dict) – Dictionary

__init__(dconfig)[source]¶

Get information from dictionary

Parameters: dconfig (dict) – Dictionary

classmethod from_dict(d)[source]¶

classmethod from_toml(f)[source]¶

Get information from toml file.

Parameters: f (str) – Name of input toml File
Returns: cls.from_dict – Parameters for DFT solver
Return type: DFTConfigParams object

abics.applications.latgas_abinitio_interface.defect.defect_config(cparam: abics.applications.latgas_abinitio_interface.defect.DFTConfigParams)[source]¶

Get configuration information

Parameters: cparam (DFTConfigParams object) – Parameters for DFT solver
Returns: spinel_config – spinel configure object
Return type: config object