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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 SimulationBox, including all inherited members.
| angleAlpha (defined in SimulationBox) | SimulationBox | |
| angleBeta (defined in SimulationBox) | SimulationBox | |
| angleGamma (defined in SimulationBox) | SimulationBox | |
| angles() const | SimulationBox | |
| applyPeriodicBoundaryConditions(const double3 &dr) const | SimulationBox | inline |
| cell (defined in SimulationBox) | SimulationBox | |
| from_json (defined in SimulationBox) | SimulationBox | friend |
| inverseCell (defined in SimulationBox) | SimulationBox | |
| jsonStatus() const | SimulationBox | |
| lengthA (defined in SimulationBox) | SimulationBox | |
| lengthB (defined in SimulationBox) | SimulationBox | |
| lengthC (defined in SimulationBox) | SimulationBox | |
| lengths() const | SimulationBox | |
| operator+=(const SimulationBox &b) (defined in SimulationBox) | SimulationBox | inline |
| operator<< (defined in SimulationBox) | SimulationBox | friend |
| operator==(SimulationBox const &) const =default (defined in SimulationBox) | SimulationBox | |
| operator>> (defined in SimulationBox) | SimulationBox | friend |
| perpendicularWidths() const | SimulationBox | |
| printStatus() const | SimulationBox | |
| printStatus(const SimulationBox &average, const SimulationBox &error) const | SimulationBox | |
| randomPosition(RandomNumber &random) const | SimulationBox | |
| scale(double scale) | SimulationBox | inline |
| scale(int3 scale) | SimulationBox | inline |
| scaled(double scale) | SimulationBox | inline |
| scaled(int3 scale) const | SimulationBox | inline |
| setBoxAngles(double3 angles) | SimulationBox | |
| setBoxLengths(double3 lengths) | SimulationBox | |
| SimulationBox() | SimulationBox | inline |
| SimulationBox(double a, double b, double c) | SimulationBox | explicit |
| SimulationBox(double a, double b, double c, double alpha, double beta, double gamma) | SimulationBox | explicit |
| SimulationBox(double a, double b, double c, double alpha, double beta, double gamma, Type type) | SimulationBox | explicit |
| SimulationBox(double3x3 m) | SimulationBox | explicit |
| SimulationBox(double3x3 m, Type type) | SimulationBox | explicit |
| smallestNumberOfUnitCellsForMinimumImagesConvention(double cutOff) const (defined in SimulationBox) | SimulationBox | |
| to_json (defined in SimulationBox) | SimulationBox | friend |
| Type enum name | SimulationBox | |
| type (defined in SimulationBox) | SimulationBox | |
| versionNumber (defined in SimulationBox) | SimulationBox | |
| volume (defined in SimulationBox) | SimulationBox |