FastParticleOperators.h File Reference

template functions to support conversion and handling of boundary conditions. More...

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Classes
struct	ConvertPosUnit< T1, T2, D >
	Dummy template class to be specialized. More...
struct	ConvertPosUnit< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >
	Specialized ConvertPosUnit for ParticleAttrib<T,3>, Tensor<T,3> More...
struct	ConvertPosUnit< ParticleAttrib< TinyVector< T, 2 > >, Tensor< T, 2 >, 2 >
	Specialized ConvertPosUnit for ParticleAttrib<T,2>, Tensor<T,2> More...
struct	ApplyBConds< T1, T2, D >
	Dummy template class to apply boundary conditions. More...
struct	ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Macros
#define	SUPERCELL_BOUNDARY_LIMITS(T)
#define	THREE_DIM_BOUNDARY_BLOCK(X, Y, Z, EPS, PLUSONE)
#define	TWO_DIM_BOUNDARY_BLOCK(X, Y, EPS, PLUSONE)

Functions
template<typename T , unsigned D>
void	put2box (ParticleAttrib< TinyVector< T, D >> &inout)
	inout[i]=inout[i]-floor(inout[i]) More...
template<typename T , unsigned D>
void	put2box (const ParticleAttrib< TinyVector< T, D >> &in, ParticleAttrib< TinyVector< T, D >> &out)
	out[i]=in[i]-floor(in[i]) More...

Detailed Description

template functions to support conversion and handling of boundary conditions.

Definition in file FastParticleOperators.h.

---

Class Documentation

qmcplusplus::ConvertPosUnit

struct qmcplusplus::ConvertPosUnit

template<class T1, class T2, unsigned D>
struct qmcplusplus::ConvertPosUnit< T1, T2, D >

Dummy template class to be specialized.

• T1 the datatype to be transformed
• T2 the transformation matrix

Definition at line 31 of file FastParticleOperators.h.

Collaboration diagram for ConvertPosUnit< T1, T2, D >:

qmcplusplus::ApplyBConds

struct qmcplusplus::ApplyBConds

template<class T1, class T2, unsigned D>
struct qmcplusplus::ApplyBConds< T1, T2, D >

Dummy template class to apply boundary conditions.

Definition at line 181 of file FastParticleOperators.h.

Collaboration diagram for ApplyBConds< T1, T2, D >:

Macro Definition Documentation

SUPERCELL_BOUNDARY_LIMITS

#define SUPERCELL_BOUNDARY_LIMITS

(

T

)

Value:

const T epsilon  = -std::numeric_limits<T>::epsilon(); \
  const T plus_one = 1.0

Definition at line 149 of file FastParticleOperators.h.

Referenced by ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Cart2Cart(), ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Cart2Unit(), ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Unit2Cart(), and ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Unit2Unit().

THREE_DIM_BOUNDARY_BLOCK

#define THREE_DIM_BOUNDARY_BLOCK	(		X,
			Y,
			Z,
			EPS,
			PLUSONE
	)

Value:

if (X < EPS)                                          \
    X += PLUSONE;                                       \
  else if (X >= PLUSONE)                                \
    X -= PLUSONE;                                       \
  if (Y < EPS)                                          \
    Y += PLUSONE;                                       \
  else if (Y >= PLUSONE)                                \
    Y -= PLUSONE;                                       \
  if (Z < EPS)                                          \
    Z += PLUSONE;                                       \
  else if (Z >= PLUSONE)                                \
  Z -= PLUSONE

Definition at line 154 of file FastParticleOperators.h.

Referenced by ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Cart2Cart(), ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Cart2Unit(), ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Unit2Cart(), and ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >::Unit2Unit().

TWO_DIM_BOUNDARY_BLOCK

#define TWO_DIM_BOUNDARY_BLOCK	(		X,
			Y,
			EPS,
			PLUSONE
	)

Value:

if (X < EPS)                                     \
    X += PLUSONE;                                  \
  else if (X >= PLUSONE)                           \
    X -= PLUSONE;                                  \
  if (Y < EPS)                                     \
    Y += PLUSONE;                                  \
  else if (Y >= PLUSONE)                           \
  Y -= PLUSONE

Definition at line 168 of file FastParticleOperators.h.