Gromacs
2025.0-dev-20241009-5c23d5f
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Private implementation class for GaussTransform3D.
Public Member Functions | |
Impl (const dynamicExtents3D &extent, const GaussianSpreadKernelParameters::Shape &kernelShapeParameters) | |
Construct from extent and spreading width and range. | |
Impl (const Impl &other)=default | |
Copy constructor. | |
Impl & | operator= (const Impl &other)=default |
Copy assignment. | |
void | add (const GaussianSpreadKernelParameters::PositionAndAmplitude &localParamters) |
Add another gaussian. | |
Public Attributes | |
BasicVector< double > | sigma_ |
The width of the Gaussian in lattice spacing units. | |
IVec | spreadRange_ |
The spread range in lattice points. | |
MultiDimArray< std::vector < float >, dynamicExtents3D > | data_ |
The result of the Gauss transform. | |
OuterProductEvaluator | outerProductZY_ |
The outer product of a Gaussian along the z and y dimension. | |
std::array < GaussianOn1DLattice, DIM > | gauss1d_ |
The three one-dimensional Gaussians, whose outer product is added to the Gauss transform. | |