optbas_opt_utils.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	optbas_opt_utils

Functions/Subroutines
subroutine, public	optbas_opt_utils::evaluate_optvals (mos, mos_aux_fit, matrix_ks, q, snew, s_inv_orb, fval, energy, s_cond_number)
	...
subroutine, public	optbas_opt_utils::fit_mo_coeffs (saux, sauxorb, mos, mosaux)
	...
subroutine, public	optbas_opt_utils::optbas_build_neighborlist (qs_env, sab_aux, sab_aux_orb, basis_type)
	rebuilds neighborlist for absis sets