Documentation for module optbas_opt_utils

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source: optbas_opt_utils.F
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public Subroutines/Functions:

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SUBROUTINEevaluate_energy(mos, matrix_ks, s_inv_orb, q, tmp1, energy)

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Arguments:
POINTER
:: mos(:) ...
POINTER
:: matrix_ks(:) ...
TYPE(cp_fm_type),
POINTER
:: s_inv_orb ...
TYPE(cp_fm_type),
POINTER
:: q ...
TYPE(cp_fm_type),
POINTER
:: tmp1 ...
REAL(dp)
:: energy ...

SUBROUTINEevaluate_fval(mos, mos_aux_fit, q, snew, admm_env, fval, s_cond_number)

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Arguments:
POINTER
:: mos(:) ...
POINTER
:: mos_aux_fit(:) ...
TYPE(dbcsr_type),
POINTER
:: q ...
TYPE(dbcsr_type),
POINTER
:: snew ...
TYPE(admm_type),
POINTER
:: admm_env ...
REAL(dp)
:: fval ...
REAL(dp)
:: s_cond_number ...