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RASPA3 3.0.13
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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This is the complete list of members for Molecule, including all inherited members.
| atomIndex | Molecule | |
| centerOfMassPosition | Molecule | |
| componentId | Molecule | |
| from_json (defined in Molecule) | Molecule | friend |
| gradient | Molecule | |
| invMass | Molecule | |
| mass | Molecule | |
| Molecule() noexcept=default | Molecule | |
| Molecule(double3 centerOfMassPosition, simd_quatd orientation) | Molecule | inline |
| Molecule(double3 centerOfMassPosition, simd_quatd orientation, double mass, std::size_t componentId, std::size_t numberOfAtoms) (defined in Molecule) | Molecule | inline |
| numberOfAtoms | Molecule | |
| operator<< (defined in Molecule) | Molecule | friend |
| operator>> (defined in Molecule) | Molecule | friend |
| orientation | Molecule | |
| orientationGradient | Molecule | |
| orientationMomentum | Molecule | |
| padding1 (defined in Molecule) | Molecule | |
| padding2 (defined in Molecule) | Molecule | |
| padding3 (defined in Molecule) | Molecule | |
| repr() const (defined in Molecule) | Molecule | inline |
| to_json (defined in Molecule) | Molecule | friend |
| velocity | Molecule |