RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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This is the complete list of members for PseudoAtom, including all inherited members.
atomicNumber | PseudoAtom | |
charge | PseudoAtom | |
framework | PseudoAtom | |
mass | PseudoAtom | |
name | PseudoAtom | |
operator<< (defined in PseudoAtom) | PseudoAtom | friend |
operator==(const PseudoAtom &other) const (defined in PseudoAtom) | PseudoAtom | |
operator>> (defined in PseudoAtom) | PseudoAtom | friend |
oxidationState | PseudoAtom | |
polarizability | PseudoAtom | |
printToPDB | PseudoAtom | |
PseudoAtom() | PseudoAtom | inline |
PseudoAtom(std::string name, bool framework, double mass, double charge, double polarizability, std::size_t atomicNumber, bool printToPDB, std::string source="") | PseudoAtom | inline |
source | PseudoAtom | |
versionNumber | PseudoAtom |