potential_definitions
Full name: ase2sprkkr.potentials.potential_definitions
Module class hierarchy
![Inheritance diagram of ase2sprkkr.potentials.potential_definitions.ASEArraySectionDefinition, ase2sprkkr.potentials.potential_definitions.PotSectionDefinition, ase2sprkkr.potentials.potential_definitions.PotValueDefinition, ase2sprkkr.potentials.potential_definitions.PotentialDefinition, ase2sprkkr.potentials.potential_definitions.Separator](../_images/inheritance-88943a1c34d363be072e12a5c9666f0f49335ac8.png)
Description
This file contains the classes for definitions of Potentials: the list of sections and their allowed (or standard) options and their value formats. InputParameterss and potentials have a simlilar structure, so they share common functionalities from sprkkr.common.configuration_definitions
Classes
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A definition of a section, that contains an ASE datas (Atoms.setArray) |
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This class describes the format of one value of a standard potential section |
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Definition of a configuration option in a potential |
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This class describes the format of a potential file |
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A special (hidden) value, that appears in a potential header section. |