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module | qs_ot_scf |
| basic functionality for using ot in the scf routines.
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subroutine, public | qs_ot_scf::ot_scf_read_input (qs_ot_env, scf_section) |
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subroutine, public | qs_ot_scf::ot_scf_mini (mo_array, matrix_dedc, smear, matrix_s, energy, energy_only, delta, qs_ot_env) |
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subroutine, public | qs_ot_scf::ot_scf_init (mo_array, matrix_s, qs_ot_env, matrix_ks, broyden_adaptive_sigma) |
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subroutine, public | qs_ot_scf::ot_scf_destroy (qs_ot_env) |
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