Gromacs
2024.4
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#include "gmxpre.h"
#include <cmath>
#include <algorithm>
#include <functional>
#include <utility>
#include <gtest/gtest.h>
#include "gromacs/math/units.h"
#include "gromacs/math/utilities.h"
#include "gromacs/options/basicoptions.h"
#include "gromacs/options/ioptionscontainer.h"
#include "gromacs/simd/simd.h"
#include "gromacs/tables/cubicsplinetable.h"
#include "gromacs/tables/quadraticsplinetable.h"
#include "testutils/testasserts.h"
#include "testutils/testoptions.h"
Tests for simple math functions.eval.
Classes | |
class | gmx::test::anonymous_namespace{splinetable.cpp}::SplineTableTest< T > |
Test fixture for table comparision with analytical/numerical functions. More... | |
Typedefs | |
typedef ::testing::Types < QuadraticSplineTable, CubicSplineTable > | gmx::test::anonymous_namespace{splinetable.cpp}::SplineTableTypes |
Typed-test list. We test QuadraticSplineTable and CubicSplineTable. | |
Functions | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::coulombFunction (double r) |
Function similar to coulomb electrostatics. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::coulombDerivative (double r) |
Derivative (not force) of coulomb electrostatics. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::lj6Function (double r) |
Function similar to power-6 Lennard-Jones dispersion. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::lj6Derivative (double r) |
Derivative (not force) of the power-6 Lennard-Jones dispersion. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::lj12Function (double r) |
Function similar to power-12 Lennard-Jones repulsion. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::lj12Derivative (double r) |
Derivative (not force) of the power-12 Lennard-Jones repulsion. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::sincFunction (double r) |
The sinc function, sin(r)/r. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::sincDerivative (double r) |
Derivative of the sinc function. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::pmeCorrFunction (double r) |
Function for the direct-space PME correction to 1/r. More... | |
double | gmx::test::anonymous_namespace{splinetable.cpp}::pmeCorrDerivative (double r) |
Derivative of the direct-space PME correction to 1/r. More... | |