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subroutine, public | qs_mixing_utils::self_consistency_check (rho_ao, p_delta, para_env, p_out, delta) |
| ... More...
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subroutine, public | qs_mixing_utils::mixing_allocate (qs_env, mixing_method, p_mix_new, p_delta, nspins, mixing_store) |
| allocation needed when density mixing is used More...
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subroutine, public | qs_mixing_utils::mixing_init (mixing_method, rho, mixing_store, para_env, rho_atom) |
| initialiation needed when gspace mixing is used More...
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elemental subroutine, public | qs_mixing_utils::charge_mixing_init (mixing_store) |
| initialiation needed when charge mixing is used More...
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