ps_wavelet_base.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	ps_wavelet_base
	Creates the wavelet kernel for the wavelet based poisson solver.

Functions/Subroutines
subroutine, public	ps_wavelet_base::p_poissonsolver (n1, n2, n3, nd1, nd2, nd3, md1, md2, md3, nproc, iproc, zf, scal, hx, hy, hz, mpi_group)
	...
subroutine, public	ps_wavelet_base::s_poissonsolver (n1, n2, n3, nd1, nd2, nd3, md1, md2, md3, nproc, iproc, pot, zf, scal, mpi_group)
	!HERE POT MUST BE THE KERNEL (BEWARE THE HALF DIMENSION) ****h* BigDFT/S_PoissonSolver (Based on suitable modifications of S.Goedecker routines) Applies the local FFT space Kernel to the density in Real space. Does NOT calculate the LDA exchange-correlation terms
subroutine, public	ps_wavelet_base::scramble_unpack (i1, j2, lot, nfft, n1, n3, md2, nproc, nd3, zw, zmpi2, cosinarr)
	(Based on suitable modifications of S.Goedecker routines) Assign the correct planes to the work array zmpi2 in order to prepare for interprocessor data transposition. In the meanwhile, it unpacks the data of the HalFFT in order to prepare for multiplication with the kernel
subroutine, public	ps_wavelet_base::f_poissonsolver (n1, n2, n3, nd1, nd2, nd3, md1, md2, md3, nproc, iproc, pot, zf, scal, mpi_group)
	(Based on suitable modifications of S.Goedecker routines) Applies the local FFT space Kernel to the density in Real space. Calculates also the LDA exchange-correlation terms