RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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simulationbox Module Reference

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