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 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 |