RASPA3 3.0.21
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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InterpolationEnergyGrid Member List

This is the complete list of members for InterpolationEnergyGrid, including all inherited members.

data (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
interpolate(double3 pos) const (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
interpolateGradient(double3 pos) const (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
interpolateHessian(double3 pos) const (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
InterpolationEnergyGrid() (defined in InterpolationEnergyGrid)InterpolationEnergyGridinline
InterpolationEnergyGrid(const SimulationBox unitCellBox, double3 origin, uint3 numberOfGridPoints, ForceField::InterpolationScheme order) (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
makeExternalFieldInterpolationGrid(std::ostream &stream, const ForceField &forceField, const SimulationBox &simulationBox) (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
makeFrameworkInterpolationGrid(std::ostream &stream, ForceField::InterpolationGridType interpolationGridType, const ForceField &forceField, const Framework &framework, double cutOff, std::size_t pseudo_atom_index) (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
num_points_interpolation (defined in InterpolationEnergyGrid)InterpolationEnergyGridstatic
numberOfCells (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
numberOfGridPoints (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
operator<< (defined in InterpolationEnergyGrid)InterpolationEnergyGridfriend
operator>> (defined in InterpolationEnergyGrid)InterpolationEnergyGridfriend
order (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
origin (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
parseExternalFieldGridCube(const std::string &filename)InterpolationEnergyGridstatic
parseExternalFieldGridDimensions(const std::string &filename) (defined in InterpolationEnergyGrid)InterpolationEnergyGridstatic
unitCellBox (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
versionNumber (defined in InterpolationEnergyGrid)InterpolationEnergyGrid
writeOutput(std::size_t systemId, const SimulationBox &simulationBox, const ForceField &forceField) (defined in InterpolationEnergyGrid)InterpolationEnergyGrid