SIRIUS 7.5.0
Electronic structure library and applications
gpu_kernels Directory Reference

Files

file  augmentation_operator.cu [code]
 CUDA kernels to generate augmentation operator and its derivative.
 
file  checksum.cu [code]
 Compute checkum on GPU.
 
file  create_beta_gk.cu [code]
 CUDA kernel for the generation of beta(G+k) projectors.
 
file  density_rg.cu [code]
 CUDA kernel to update density on the regular FFT grid.
 
file  core/gpu_kernels/diag_mm.cu [code]
 
file  generate_dm_pw.cu [code]
 CUDA kernel to generate a product of phase-factors and density matrix.
 
file  generate_phase_factors.cu [code]
 CUDA kernel to generate plane-wave atomic phase factors.
 
file  local_operator.cu [code]
 GPU kernels and API for application of the local operator.
 
file  mul_veff_with_phase_factors.cu [code]
 CUDA kernel to multiply effective potential by the phase factors.
 
file  residuals_aux.cu [code]
 CUDA kernel to compute wave-function residuals on GPUs.
 
file  scale_matrix.cu [code]
 Contains implementation of CUDA kernels to scale matrix elements (rows or columns).
 
file  spherical_harmonics.cu [code]
 CUDA kernels to generate spherical harminics.
 
file  spline.cu [code]
 CUDA kernels to perform operations on splines.
 
file  sum_q_pw_dm_pw.cu [code]
 CUDA kernel to perform a summation over xi,xi' indices for the charge density augmentation.