RASPA3 3.0.13
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
Loading...
Searching...
No Matches
SimulationBox Member List

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() constSimulationBox
applyPeriodicBoundaryConditions(const double3 &dr) constSimulationBoxinline
cell (defined in SimulationBox)SimulationBox
from_json (defined in SimulationBox)SimulationBoxfriend
inverseCell (defined in SimulationBox)SimulationBox
jsonStatus() constSimulationBox
lengthA (defined in SimulationBox)SimulationBox
lengthB (defined in SimulationBox)SimulationBox
lengthC (defined in SimulationBox)SimulationBox
lengths() constSimulationBox
operator+=(const SimulationBox &b) (defined in SimulationBox)SimulationBoxinline
operator<< (defined in SimulationBox)SimulationBoxfriend
operator==(SimulationBox const &) const =default (defined in SimulationBox)SimulationBox
operator>> (defined in SimulationBox)SimulationBoxfriend
perpendicularWidths() constSimulationBox
printStatus() constSimulationBox
printStatus(const SimulationBox &average, const SimulationBox &error) constSimulationBox
randomPosition(RandomNumber &random) constSimulationBox
scale(double scale)SimulationBoxinline
scale(int3 scale)SimulationBoxinline
scaled(double scale)SimulationBoxinline
scaled(int3 scale) constSimulationBoxinline
setBoxAngles(double3 angles)SimulationBox
setBoxLengths(double3 lengths)SimulationBox
SimulationBox()SimulationBoxinline
SimulationBox(double a, double b, double c)SimulationBoxexplicit
SimulationBox(double a, double b, double c, double alpha, double beta, double gamma)SimulationBoxexplicit
SimulationBox(double a, double b, double c, double alpha, double beta, double gamma, Type type)SimulationBoxexplicit
SimulationBox(double3x3 m)SimulationBoxexplicit
SimulationBox(double3x3 m, Type type)SimulationBoxexplicit
smallestNumberOfUnitCellsForMinimumImagesConvention(double cutOff) const (defined in SimulationBox)SimulationBox
to_json (defined in SimulationBox)SimulationBoxfriend
Type enum nameSimulationBox
type (defined in SimulationBox)SimulationBox
versionNumber (defined in SimulationBox)SimulationBox
volume (defined in SimulationBox)SimulationBox