Scine::Swoose
2.1.0
This is the SCINE module Swoose.
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This is the complete list of members for Scine::SwooseUtilities::AtomicInformationReader, including all inherited members.
AtomicInformationReader(Core::Log &log) | Scine::SwooseUtilities::AtomicInformationReader | explicit |
read(const std::string &filename, std::map< int, int > &formalCharges, std::map< int, int > &unpairedElectrons, int numberOfAtoms) | Scine::SwooseUtilities::AtomicInformationReader | |
read(const std::string &filename, int numberOfAtoms) | Scine::SwooseUtilities::AtomicInformationReader |