SIRIUS 7.5.0
Electronic structure library and applications
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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. | |