Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::MMParametrization::TrainingData Struct Reference
Collaboration diagram for Scine::MMParametrization::TrainingData:
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Public Attributes

std::string groupType
 
std::vector< double > eneryOfDeprotonation
 
std::vector< double > pKas
 

The documentation for this struct was generated from the following file: