definitions
Full name: ase2sprkkr.input_parameters.definitions
Description
sprkkr.input_parameters.definitions - definitions of InputParameterss: definition of configurtion options and their default values for SPR-KKR input_parameters.
Each contained module should have input_parameters attribute, that holds the definition of a task. The modules should be named according to the name of the contained task (e.g. DOS, ARPES, SCF, …)
Modules
Definitions of sections to be used in definitions of input parameters (input files for SPR-KKR tasks) |
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ARPES task input parameters definition |
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DOS task input parameters definition |
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DOS task input parameters definition |
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DOS task input parameters definition |
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Gilbert task input parameters definition |
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JXC task input parameters definition |
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PHAGEN task input parameters definition |
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SCF task input parameters definition |
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Description of the sections and parameters |