Gromacs
2019-beta1
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Table interpolation from analytical or numerical input.
This module provides quadratic spline interpolation tables used both for the nonbonded kernels and listed interactions.
Files | |
file | cubicsplinetable.cpp |
Implements classes for cubic spline table functions. | |
file | cubicsplinetable.h |
Declares classes for cubic spline table. | |
file | forcetable.h |
Old routines for table generation (will eventually be replaced) | |
file | quadraticsplinetable.cpp |
Implements classes for quadratic spline table functions. | |
file | quadraticsplinetable.h |
Declares classes for quadratic spline table. | |
file | splineutil.cpp |
Implements internal utility functions for spline tables. | |
file | splineutil.h |
Declares internal utility functions for spline tables. | |
file | tableinput.h |
Declares structures for analytical or numerical input data to construct tables. | |
file | splinetable.cpp |
Tests for simple math functions.eval. | |