ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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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 |
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 |
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 |
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 |
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 |