QMCPACK
KPoint Class Reference
+ Collaboration diagram for KPoint:

Public Member Functions

 KPoint ()
 
 KPoint (double x, double y, double z)
 
 KPoint (const KPoint &kp)
 
KPointoperator= (const KPoint &kp)
 
bool operator== (const KPoint &kp) const
 
bool operator< (const KPoint &kp) const
 

Public Attributes

double kx
 
double ky
 
double kz
 

Detailed Description

Definition at line 21 of file WriteEshdf.cpp.

Constructor & Destructor Documentation

◆ KPoint() [1/3]

KPoint ( )
inline

Definition at line 27 of file WriteEshdf.cpp.

28  {
29  kx = 0;
30  ky = 0;
31  kz = 0;
32  }
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

◆ KPoint() [2/3]

KPoint ( double  x,
double  y,
double  z 
)
inline

Definition at line 33 of file WriteEshdf.cpp.

34  {
35  kx = x;
36  ky = y;
37  kz = z;
38  }
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

◆ KPoint() [3/3]

KPoint ( const KPoint kp)
inline

Definition at line 39 of file WriteEshdf.cpp.

References kx, ky, and kz.

40  {
41  kx = kp.kx;
42  ky = kp.ky;
43  kz = kp.kz;
44  }
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

Member Function Documentation

◆ operator<()

bool operator< ( const KPoint kp) const
inline

Definition at line 60 of file WriteEshdf.cpp.

References qmcplusplus::abs(), qmcplusplus::Units::charge::e, kx, ky, and kz.

61  {
62  if (abs(kx - kp.kx) > 1e-7)
63  {
64  return kx < kp.kx;
65  }
66  else if (abs(ky - kp.ky) > 1e-7)
67  {
68  return ky < kp.ky;
69  }
70  else if (abs(kz - kp.kz) > 1e-7)
71  {
72  return kz < kp.kz;
73  }
74  return false;
75  }
MakeReturn< UnaryNode< FnFabs, typename CreateLeaf< Vector< T1, C1 > >::Leaf_t > >::Expression_t abs(const Vector< T1, C1 > &l)
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

◆ operator=()

KPoint& operator= ( const KPoint kp)
inline

Definition at line 45 of file WriteEshdf.cpp.

References kx, ky, and kz.

46  {
47  kx = kp.kx;
48  ky = kp.ky;
49  kz = kp.kz;
50  return *this;
51  }
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

◆ operator==()

bool operator== ( const KPoint kp) const
inline

Definition at line 52 of file WriteEshdf.cpp.

References qmcplusplus::abs(), qmcplusplus::Units::charge::e, kx, ky, and kz.

53  {
54  if ((std::abs(kx - kp.kx) < 1e-7) && (std::abs(ky - kp.ky) < 1e-7) && (std::abs(kz - kp.kz) < 1e-7))
55  {
56  return true;
57  }
58  return false;
59  }
MakeReturn< UnaryNode< FnFabs, typename CreateLeaf< Vector< T1, C1 > >::Leaf_t > >::Expression_t abs(const Vector< T1, C1 > &l)
double kx
Definition: WriteEshdf.cpp:24
double ky
Definition: WriteEshdf.cpp:25
double kz
Definition: WriteEshdf.cpp:26

Member Data Documentation

◆ kx

◆ ky

◆ kz


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