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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Functions
ModulePW Namespace Reference

Classes

class  FFT_BASE
 
class  FFT_Bundle
 
class  FFT_CPU
 
class  FFT_CUDA
 
class  FFT_DSP
 
struct  FFT_Guard
 
class  FFT_ROCM
 
class  PW_Basis
 A class which can convert a function of "r" to the corresponding linear superposition of plane waves (real space to reciprocal space) or convert a linear superposition of plane waves to the function of "r" (reciprocal to real). More...
 
class  PW_Basis_Big
 
class  PW_Basis_K
 Special pw_basis class. It includes different k-points. More...
 
class  PW_Basis_K_Big
 
class  PW_Basis_Sup
 Special pw_basis class for sup girds, which is constrcuted in order to be consistent with the smooth grids in terms of sticks. Easy for conversion between smooth and sup grids in reciprocal space. More...
 
struct  set_3d_fft_box_op
 
struct  set_3d_fft_box_op< FPTYPE, base_device::DEVICE_CPU >
 
struct  set_real_to_recip_output_op
 
struct  set_real_to_recip_output_op< FPTYPE, base_device::DEVICE_CPU >
 
struct  set_recip_to_real_output_op
 
struct  set_recip_to_real_output_op< FPTYPE, base_device::DEVICE_CPU >
 

Functions

template void PW_Basis_K::real_to_recip< double, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< double > *in, std::complex< double > *out, const int ik, const bool add, const double factor) const
 
template void PW_Basis_K::recip_to_real< double, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< double > *in, std::complex< double > *out, const int ik, const bool add, const double factor) const
 
template void PW_Basis_K::recip_to_real< float, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< float > *in, std::complex< float > *out, const int ik, const bool add, const float factor) const
 
template void PW_Basis_K::real_to_recip< float, base_device::DEVICE_CPU > (const base_device::DEVICE_CPU *ctx, const std::complex< float > *in, std::complex< float > *out, const int ik, const bool add, const float factor) const
 

Function Documentation

◆ PW_Basis_K::real_to_recip< double, base_device::DEVICE_CPU >()

template void ModulePW::PW_Basis_K::real_to_recip< double, base_device::DEVICE_CPU > ( const base_device::DEVICE_CPU *  ctx,
const std::complex< double > *  in,
std::complex< double > *  out,
const int  ik,
const bool  add,
const double  factor 
) const

◆ PW_Basis_K::real_to_recip< float, base_device::DEVICE_CPU >()

template void ModulePW::PW_Basis_K::real_to_recip< float, base_device::DEVICE_CPU > ( const base_device::DEVICE_CPU *  ctx,
const std::complex< float > *  in,
std::complex< float > *  out,
const int  ik,
const bool  add,
const float  factor 
) const

◆ PW_Basis_K::recip_to_real< double, base_device::DEVICE_CPU >()

template void ModulePW::PW_Basis_K::recip_to_real< double, base_device::DEVICE_CPU > ( const base_device::DEVICE_CPU *  ctx,
const std::complex< double > *  in,
std::complex< double > *  out,
const int  ik,
const bool  add,
const double  factor 
) const

◆ PW_Basis_K::recip_to_real< float, base_device::DEVICE_CPU >()

template void ModulePW::PW_Basis_K::recip_to_real< float, base_device::DEVICE_CPU > ( const base_device::DEVICE_CPU *  ctx,
const std::complex< float > *  in,
std::complex< float > *  out,
const int  ik,
const bool  add,
const float  factor 
) const