aiida_vibroscopy.utils.validation
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Validation function utilities.
Module Contents#
Functions#
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Round the total magnetization input and return true if outside the threshold. |
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Validate the supercell_matrix and primitive_matrix inputs. |
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Validate that value is positive. |
- aiida_vibroscopy.utils.validation.validate_tot_magnetization(tot_magnetization: float, thr: float = 0.2) bool [source]#
Round the total magnetization input and return true if outside the threshold.
This is needed because ‘tot_magnetization’ must be an integer in the aiida-quantumespresso input parameters.