Gromacs
2020.1
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#include <gromacs/applied_forces/densityfittingamplitudelookup.h>
Class that translates atom properties into amplitudes.
Public Member Functions | |
DensityFittingAmplitudeLookup (const DensityFittingAmplitudeMethod &method) | |
Construct force provider for density fitting from its parameters. | |
DensityFittingAmplitudeLookup (const DensityFittingAmplitudeLookup &other) | |
Copy constructor. | |
DensityFittingAmplitudeLookup & | operator= (const DensityFittingAmplitudeLookup &other) |
Copy assignment. | |
DensityFittingAmplitudeLookup (DensityFittingAmplitudeLookup &&other) noexcept | |
Move constructor. | |
DensityFittingAmplitudeLookup & | operator= (DensityFittingAmplitudeLookup &&other) noexcept |
Move assignment. | |
const std::vector< real > & | operator() (const t_mdatoms &atoms, ArrayRef< const int > localIndex) |
Return the amplitudes for spreading atoms of a given local index. More... | |
const std::vector< real > & gmx::DensityFittingAmplitudeLookup::operator() | ( | const t_mdatoms & | atoms, |
ArrayRef< const int > | localIndex | ||
) |
Return the amplitudes for spreading atoms of a given local index.
[in] | atoms | the atom information |
[in] | localIndex | the local atom indices |