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Gromacs
2026.0-dev-20251119-5f0a571d
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Collaboration diagram for gmx::GaussTransform3D::Impl: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. | |
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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. | |
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std::array < GaussianOn1DLattice, DIM > | gauss1d_ |
| The three one-dimensional Gaussians, whose outer product is added to the Gauss transform. | |
1.8.5