File FirstND.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
FirstND: public Scine::Utils::AutomaticDifferentiation::FirstBase<Eigen::MatrixXd, FirstND> - #include <FirstND.h>
Class representing values in N dimensions and allowing for the automatic calculation of first derivatives in those N dimensions.
Public Functions
-
FirstND() Constructor that takes no arguments.
-
FirstND(double v, Eigen::MatrixXd d) Constructor that takes the value of the function as a double and the derivatives as an Eigen::MatrixXd.
-
void
setZero()¶
-
int
dimensions() const Getter for the number of dimensions of the function.
- Return
int Number of dimensions.
-
double
derivative(int index) const Getter for the derivative.
- Return
double
- Parameters
int: Index to the derivative that should be returned in the N dimensional derivatives object.
-
-
class
-
namespace
-
namespace