n2p2 - A neural network potential package
Public Member Functions | Public Attributes | List of all members
nnp::Kvector Class Reference

#include <Kspace.h>

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Public Member Functions

 Kvector ()
 Constructor. More...
 
 Kvector (Vec3D v)
 Constructor with Vec3D. More...
 

Public Attributes

Vec3D k
 A single k-vector (as Vec3D). More...
 
double knorm2
 Square of norm of k-vector. More...
 
double coeff
 Precomputed coefficient for Ewald summation. More...
 

Detailed Description

Definition at line 27 of file Kspace.h.

Constructor & Destructor Documentation

◆ Kvector() [1/2]

Kvector::Kvector ( )

Constructor.

Definition at line 26 of file Kspace.cpp.

26 : k (Vec3D()),
27 knorm2(0.0 ),
28 coeff (0.0 )
29{
30}
nnp::Kvector::k
Vec3D k
A single k-vector (as Vec3D).
Definition: Kspace.h:31
nnp::Kvector::coeff
double coeff
Precomputed coefficient for Ewald summation.
Definition: Kspace.h:35
nnp::Kvector::knorm2
double knorm2
Square of norm of k-vector.
Definition: Kspace.h:33
nnp::Vec3D
Vector in 3 dimensional real space.
Definition: Vec3D.h:30

◆ Kvector() [2/2]

Kvector::Kvector ( Vec3D  v)

Constructor with Vec3D.

Definition at line 32 of file Kspace.cpp.

32 : k (v ),
33 knorm2(v.norm()),
34 coeff (0.0 )
35{
36}
nnp::Vec3D::norm
double norm() const
Calculate norm of vector.
Definition: Vec3D.h:294

Member Data Documentation

◆ k

Vec3D nnp::Kvector::k

A single k-vector (as Vec3D).

Definition at line 31 of file Kspace.h.

◆ knorm2

double nnp::Kvector::knorm2

Square of norm of k-vector.

Definition at line 33 of file Kspace.h.

◆ coeff

double nnp::Kvector::coeff

Precomputed coefficient for Ewald summation.

Definition at line 35 of file Kspace.h.

The documentation for this class was generated from the following files: