Gromacs
2025.0-dev-20241011-013a99c
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#include <gromacs/math/include/gromacs/math/gausstransform.h>
Shape parameters for Gaussian spreading kernels describe the kernel shape.
Public Member Functions | |
IVec | latticeSpreadRange () const |
The spread range in lattice coordinates. | |
Public Attributes | |
DVec | sigma_ |
The width of the Gaussian function in lattice spacings. | |
double | spreadWidthMultiplesOfSigma_ |
The range of the spreading function in multiples of sigma. | |