(git:1f285aa)
qs_rho0_types.F File Reference

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Modules

module  qs_rho0_types
 

Functions/Subroutines

subroutine, public qs_rho0_types::allocate_multipoles (mp_rho, natom, mp_gau, nkind)
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subroutine, public qs_rho0_types::allocate_rho0_atom (rho0_set, natom)
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subroutine, public qs_rho0_types::allocate_rho0_atom_rad (rho0_atom, nr, nchannels)
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subroutine, public qs_rho0_types::allocate_rho0_mpole (rho0)
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subroutine, public qs_rho0_types::calculate_g0 (rho0_mpole, grid_atom, ik)
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subroutine, public qs_rho0_types::deallocate_rho0_atom (rho0_atom_set)
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subroutine, public qs_rho0_types::deallocate_rho0_mpole (rho0)
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subroutine, public qs_rho0_types::get_rho0_mpole (rho0_mpole, g0_h, vg0_h, iat, ikind, lmax_0, l0_ikind, mp_gau_ikind, mp_rho, norm_g0l_h, Qlm_gg, Qlm_car, Qlm_tot, zet0_h, igrid_zet0_s, rpgf0_h, rpgf0_s, max_rpgf0_s, rho0_s_rs, rho0_s_gs)
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subroutine, public qs_rho0_types::initialize_mpole_rho (mp_rho, nchan_s, nchan_c, zeff)
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subroutine, public qs_rho0_types::write_rho0_info (rho0_mpole, unit_str, output_unit)
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