ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 > Struct Template Reference

Collaboration diagram for ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >:

Public Types
using	Array_t = ParticleAttrib< TinyVector< T, 3 > >
using	Component_t = typename Array_t::Type_t
using	Transformer_t = Tensor< T, 3 >

Static Public Member Functions
static void	Cart2Cart (const Array_t &pin, const Transformer_t &G, const Transformer_t &R, Array_t &pout, int first, int last)
static void	Cart2Unit (const Array_t &pin, const Transformer_t &G, Array_t &pout, int first, int last)
static void	Unit2Cart (const Array_t &pin, const Transformer_t &R, Array_t &pout, int first, int last)
static void	Unit2Unit (const Array_t &pin, Array_t &pout, int first, int last)
static void	Unit2Unit (Array_t &pinout, int first, int last)
static void	Cart2Cart (Array_t &pinout, const Transformer_t &G, const Transformer_t &R, int first, int last)
static Component_t	Unit2Unit (const Component_t &pos)
static Component_t	Cart2Unit (const Component_t &pos, const Transformer_t &G)
static Component_t	Unit2Cart (const Component_t &pos, const Transformer_t &R)
static Component_t	Cart2Cart (const Component_t &pos, const Transformer_t &G, const Transformer_t &R)

Detailed Description

template<class T>
struct qmcplusplus::ApplyBConds< ParticleAttrib< TinyVector< T, 3 > >, Tensor< T, 3 >, 3 >

Definition at line 185 of file FastParticleOperators.h.

Member Typedef Documentation

Array_t

using Array_t = ParticleAttrib<TinyVector<T, 3> >

Definition at line 187 of file FastParticleOperators.h.

Component_t

using Component_t = typename Array_t::Type_t

Definition at line 188 of file FastParticleOperators.h.

Transformer_t

using Transformer_t = Tensor<T, 3>

Definition at line 189 of file FastParticleOperators.h.

Member Function Documentation

Cart2Cart() [1/3]

static void Cart2Cart ( const Array_t &  pin, const Transformer_t &  G, const Transformer_t &  R, Array_t &  pout, int  first, int  last  )

inlinestatic

Definition at line 191 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T g00 = G[0], g01 = G[1], g02 = G[2], g10 = G[3], g11 = G[4], g12 = G[5], g20 = G[6], g21 = G[7], g22 = G[8];
    T r00 = R[0], r01 = R[1], r02 = R[2], r10 = R[3], r11 = R[4], r12 = R[5], r20 = R[6], r21 = R[7], r22 = R[8];
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pin[i][0] * g00 + pin[i][1] * g10 + pin[i][2] * g20);
      T y(pin[i][0] * g01 + pin[i][1] * g11 + pin[i][2] * g21);
      T z(pin[i][0] * g02 + pin[i][1] * g12 + pin[i][2] * g22);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pout[i][0] = x * r00 + y * r10 + z * r20;
      pout[i][1] = x * r01 + y * r11 + z * r21;
      pout[i][2] = x * r02 + y * r12 + z * r22;
    }
  }

Cart2Cart() [2/3]

static void Cart2Cart ( Array_t &  pinout, const Transformer_t &  G, const Transformer_t &  R, int  first, int  last  )

inlinestatic

Definition at line 274 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T g00 = G[0], g01 = G[1], g02 = G[2], g10 = G[3], g11 = G[4], g12 = G[5], g20 = G[6], g21 = G[7], g22 = G[8];
    T r00 = R[0], r01 = R[1], r02 = R[2], r10 = R[3], r11 = R[4], r12 = R[5], r20 = R[6], r21 = R[7], r22 = R[8];
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pinout[i][0] * g00 + pinout[i][1] * g10 + pinout[i][2] * g20);
      T y(pinout[i][0] * g01 + pinout[i][1] * g11 + pinout[i][2] * g21);
      T z(pinout[i][0] * g02 + pinout[i][1] * g12 + pinout[i][2] * g22);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pinout[i][0] = x * r00 + y * r10 + z * r20;
      pinout[i][1] = x * r01 + y * r11 + z * r21;
      pinout[i][2] = x * r02 + y * r12 + z * r22;
    }
  }

Cart2Cart() [3/3]

static Component_t Cart2Cart ( const Component_t &  pos, const Transformer_t &  G, const Transformer_t &  R  )

inlinestatic

Definition at line 317 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T x(pos[0] * G[0] + pos[1] * G[3] + pos[2] * G[6]), y(pos[0] * G[1] + pos[1] * G[4] + pos[2] * G[7]),
        z(pos[0] * G[2] + pos[1] * G[5] + pos[2] * G[8]);
    THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
    return Component_t(x * R[0] + y * R[3] + z * R[6], x * R[1] + y * R[4] + z * R[7], x * R[2] + y * R[5] + z * R[8]);
  }

Cart2Unit() [1/2]

static void Cart2Unit ( const Array_t &  pin, const Transformer_t &  G, Array_t &  pout, int  first, int  last  )

inlinestatic

Definition at line 214 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T g00 = G[0], g01 = G[1], g02 = G[2], g10 = G[3], g11 = G[4], g12 = G[5], g20 = G[6], g21 = G[7], g22 = G[8];
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pin[i][0] * g00 + pin[i][1] * g10 + pin[i][2] * g20);
      T y(pin[i][0] * g01 + pin[i][1] * g11 + pin[i][2] * g21);
      T z(pin[i][0] * g02 + pin[i][1] * g12 + pin[i][2] * g22);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pout[i][0] = x;
      pout[i][1] = y;
      pout[i][2] = z;
    }
  }

Cart2Unit() [2/2]

static Component_t Cart2Unit ( const Component_t &  pos, const Transformer_t &  G  )

inlinestatic

Definition at line 300 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T x(pos[0] * G[0] + pos[1] * G[3] + pos[2] * G[6]), y(pos[0] * G[1] + pos[1] * G[4] + pos[2] * G[7]),
        z(pos[0] * G[2] + pos[1] * G[5] + pos[2] * G[8]);
    THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
    return Component_t(x, y, z);
  }

Unit2Cart() [1/2]

static void Unit2Cart ( const Array_t &  pin, const Transformer_t &  R, Array_t &  pout, int  first, int  last  )

inlinestatic

Definition at line 231 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T r00 = R[0], r01 = R[1], r02 = R[2], r10 = R[3], r11 = R[4], r12 = R[5], r20 = R[6], r21 = R[7], r22 = R[8];
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pin[i][0]), y(pin[i][1]), z(pin[i][2]);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pout[i][0] = x * r00 + y * r10 + z * r20;
      pout[i][1] = x * r01 + y * r11 + z * r21;
      pout[i][2] = x * r02 + y * r12 + z * r22;
    }
  }

Unit2Cart() [2/2]

static Component_t Unit2Cart ( const Component_t &  pos, const Transformer_t &  R  )

inlinestatic

Definition at line 309 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T x(pos[0]), y(pos[1]), z(pos[2]);
    THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
    return Component_t(x * R[0] + y * R[3] + z * R[6], x * R[1] + y * R[4] + z * R[7], x * R[2] + y * R[5] + z * R[8]);
  }

Unit2Unit() [1/3]

static void Unit2Unit ( const Array_t &  pin, Array_t &  pout, int  first, int  last  )

inlinestatic

Definition at line 246 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pin[i][0]), y(pin[i][1]), z(pin[i][2]);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pout[i][0] = x;
      pout[i][1] = y;
      pout[i][2] = z;
    }
  }

Unit2Unit() [2/3]

static void Unit2Unit ( Array_t &  pinout, int  first, int  last  )

inlinestatic

Definition at line 260 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
#pragma ivdep
    for (int i = first; i < last; i++)
    {
      T x(pinout[i][0]), y(pinout[i][1]), z(pinout[i][2]);
      THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
      pinout[i][0] = x;
      pinout[i][1] = y;
      pinout[i][2] = z;
    }
  }

Unit2Unit() [3/3]

static Component_t Unit2Unit ( const Component_t &  pos )

inlinestatic

Definition at line 292 of file FastParticleOperators.h.

References SUPERCELL_BOUNDARY_LIMITS, and THREE_DIM_BOUNDARY_BLOCK.

  {
    SUPERCELL_BOUNDARY_LIMITS(T);
    T x(pos[0]), y(pos[1]), z(pos[2]);
    THREE_DIM_BOUNDARY_BLOCK(x, y, z, epsilon, plus_one);
    return TinyVector<T, 3>(x, y, z);
  }

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Particle/FastParticleOperators.h