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(git:b77b4be)
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Transfers densities from PW to RS grids and potentials from PW to RS. More...
Functions/Subroutines | |
subroutine, public | density_rs2pw (pw_env, rs_rho, rho, rho_gspace) |
given partial densities on the realspace multigrids, computes the full density on the plane wave grids, both in real and gspace | |
subroutine, public | potential_pw2rs (rs_v, v_rspace, pw_env) |
transfers a potential from a pw_grid to a vector of realspace multigrids | |
Transfers densities from PW to RS grids and potentials from PW to RS.
subroutine, public rs_pw_interface::density_rs2pw | ( | type(pw_env_type), intent(in) | pw_env, |
type(realspace_grid_type), dimension(:), intent(in) | rs_rho, | ||
type(pw_r3d_rs_type), intent(inout) | rho, | ||
type(pw_c1d_gs_type), intent(inout) | rho_gspace | ||
) |
given partial densities on the realspace multigrids, computes the full density on the plane wave grids, both in real and gspace
pw_env | ... |
rs_rho | ... |
rho | ... |
rho_gspace | ... |
Definition at line 64 of file rs_pw_interface.F.
subroutine, public rs_pw_interface::potential_pw2rs | ( | type(realspace_grid_type), dimension(:), intent(in) | rs_v, |
type(pw_r3d_rs_type), intent(in) | v_rspace, | ||
type(pw_env_type), intent(in) | pw_env | ||
) |
transfers a potential from a pw_grid to a vector of realspace multigrids
rs_v | OUTPUT: the potential on the realspace multigrids |
v_rspace | INPUT : the potential on a planewave grid in Rspace |
pw_env | ... |
Definition at line 151 of file rs_pw_interface.F.