RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Classes | |
struct | SimulationBox |
Represents a simulation box used in simulations. More... | |
Functions | |
SimulationBox | operator+ (const SimulationBox &a, const SimulationBox &b) |
SimulationBox | operator- (const SimulationBox &a, const SimulationBox &b) |
SimulationBox | operator* (const SimulationBox &a, const SimulationBox &b) |
SimulationBox | operator* (const double &a, const SimulationBox &b) |
SimulationBox | operator/ (const SimulationBox &a, const double &b) |
SimulationBox | sqrt (const SimulationBox &a) |
Computes the square root of each component of a SimulationBox. | |
SimulationBox | max (const SimulationBox &a, const SimulationBox &b) |
Computes the component-wise maximum of two SimulationBoxes. | |
SimulationBox | operator* (const double3x3 &a, const SimulationBox &b) |
void | to_json (nlohmann::json &j, const SimulationBox &b) |
void | from_json (const nlohmann::json &j, SimulationBox &b) |
Files | |
file | src/raspakit/simulationbox.ixx |