File First1D.h

Copyright

This code is licensed under the 3-clause BSD license.

Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.

See LICENSE.txt for details.

namespace Scine

This header file contains functions that allow for common notation for common things that can be done at a different degree of derivatives.

This header contains alias definitions defining which classes to use for the different degrees of derivatives.

namespace Utils

namespace AutomaticDifferentiation

class First1D : public Scine::Utils::AutomaticDifferentiation::FirstBase<double, First1D>

#include <First1D.h>

Class representing values in one dimension and allowing for the automatic calculation of first derivatives.

Public Functions

First1D()

Constructor with no arguments given.

First1D(double v, double d)

Constructor with two arguments.

Parameters

• v: value of the function.

• d: derivative of the function.

void setZero()

double derivative() const

Add function name in the singular form to avoid ambiguities.