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qs_rho0_ggrid Module Reference

Functions/Subroutines

subroutine, public put_rho0_on_grid (qs_env, rho0, tot_rs_int, my_pools, my_rs_grids, my_rs_descs)
 ...
 
subroutine, public rho0_s_grid_create (pw_env, rho0_mpole)
 ...
 
subroutine, public integrate_vhg0_rspace (qs_env, v_rspace, para_env, calculate_forces, local_rho_set, local_rho_set_2nd, atener, kforce, my_pools, my_rs_descs)
 ...
 

Function/Subroutine Documentation

◆ put_rho0_on_grid()

subroutine, public qs_rho0_ggrid::put_rho0_on_grid ( type(qs_environment_type), pointer  qs_env,
type(rho0_mpole_type), pointer  rho0,
real(kind=dp), intent(out)  tot_rs_int,
type(pw_pool_p_type), dimension(:), optional, pointer  my_pools,
type(realspace_grid_type), dimension(:), optional, pointer  my_rs_grids,
type(realspace_grid_desc_p_type), dimension(:), optional, pointer  my_rs_descs 
)

...

Parameters
qs_env...
rho0...
tot_rs_int...
my_pools...
my_rs_grids...
my_rs_descs...

Definition at line 91 of file qs_rho0_ggrid.F.

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◆ rho0_s_grid_create()

subroutine, public qs_rho0_ggrid::rho0_s_grid_create ( type(pw_env_type), pointer  pw_env,
type(rho0_mpole_type), pointer  rho0_mpole 
)

...

Parameters
pw_env...
rho0_mpole...

Definition at line 275 of file qs_rho0_ggrid.F.

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◆ integrate_vhg0_rspace()

subroutine, public qs_rho0_ggrid::integrate_vhg0_rspace ( type(qs_environment_type), pointer  qs_env,
type(pw_r3d_rs_type), intent(in)  v_rspace,
type(mp_para_env_type), pointer  para_env,
logical, intent(in)  calculate_forces,
type(local_rho_type), optional, pointer  local_rho_set,
type(local_rho_type), optional, pointer  local_rho_set_2nd,
real(kind=dp), dimension(:), optional  atener,
real(kind=dp), intent(in), optional  kforce,
type(pw_pool_p_type), dimension(:), optional, pointer  my_pools,
type(realspace_grid_desc_p_type), dimension(:), optional, pointer  my_rs_descs 
)

...

Parameters
qs_env...
v_rspace...
para_env...
calculate_forces...
local_rho_set...
local_rho_set_2nd...
atener...
kforce...
my_pools...
my_rs_descs...

Definition at line 332 of file qs_rho0_ggrid.F.

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