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subroutine, public | qs_tddfpt_utils::tddfpt_init (p_env, t_env, qs_env) |
| Initialize some necessary structures for a tddfpt calculation. More...
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subroutine, public | qs_tddfpt_utils::tddfpt_cleanup (t_env, p_env) |
| ... More...
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subroutine, public | qs_tddfpt_utils::co_initial_guess (matrices, energies, n_v, qs_env) |
| ... More...
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subroutine, public | qs_tddfpt_utils::find_contributions (qs_env, t_env) |
| ... More...
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subroutine, public | qs_tddfpt_utils::normalize (X, tmp_vec, metric) |
| ... More...
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subroutine, public | qs_tddfpt_utils::reorthogonalize (X, V_set, SV_set, work, n) |
| ... More...
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