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subroutine, public | qs_ks_apply_restraints::qs_ks_cdft_constraint (qs_env, auxbas_pw_pool, calculate_forces, cdft_control) |
| Apply a CDFT constraint. More...
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subroutine, public | qs_ks_apply_restraints::qs_ks_mulliken_restraint (energy, dft_control, just_energy, para_env, ks_matrix, matrix_s, rho, mulliken_order_p) |
| ... More...
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subroutine, public | qs_ks_apply_restraints::qs_ks_s2_restraint (dft_control, qs_env, matrix_s, energy, calculate_forces, just_energy) |
| ... More...
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