[table of contents] [master index] [comments] [modules] [programs] [variables] [types] [procedures]
PURPOSE
grid -- to -- basis and reverse conversions
SOURCE
module grid_basis_mod use const_mod use grid_mod use basis_mod implicit none PRIVATE PUBLIC :: basis_to_kgrid PUBLIC :: kgrid_to_basis PUBLIC :: check_symmetry
SUBROUTINE
basis_to_kgrid(basis, kgrid, [karray_full], [no_parity])
PURPOSE
Converts representation of field as array "basis" of coefficients of symmetrized basis functions into an FFT array kgrid containing corresponding coefficients for plane waves
ARGUMENTS
basis - Coefficients in expansion of field in basis functions kgrid - Fourier components of periodic field, on an FFT grid karray_full - (optional) If absent or false, use only k_x > 0, to represent real field. If present and true, use entire grid. no_parity - (optional) If absent or false, use real basis functions If present and true, use star basis functions.
SOURCE
subroutine basis_to_kgrid(basis, kgrid, karray_full, no_parity) implicit none real(long),intent(IN) :: basis(:) ! basis(N_star) complex(long),intent(OUT) :: kgrid(0:,0:,0:) ! FFT k-space grid logical,optional :: karray_full logical,optional :: no_parity
SUBROUTINE
kgrid_to_basis(kgrid, basis, [no_parity])
PURPOSE
Converts Fourier representation of field into an array basis of coefficients of symmetrized basis functions
ARGUMENTS
kgrid - Fourier components of periodic field, on an FFT grid basis - Coefficients in expansion of field in basis functions no_parity - (optional) If absent or false, use real basis functions If present, use star basis functions.
SOURCE
subroutine kgrid_to_basis(kgrid, basis, no_parity) implicit none complex(long),intent(IN) :: kgrid(0:,0:,0:) real(long),intent(OUT) :: basis(:) ! basis(N_star) logical,optional :: no_parity
SUBROUTINE
check_symmetry
PURPOSE
Need to explain purpose and arguments
SOURCE
subroutine check_symmetry(kgrid,basis,prefix) implicit none complex(long), intent(IN) :: kgrid(0:,0:,0:) real(long), intent(IN), optional :: basis(:) character(*) :: prefix