mao_basis.F File Reference

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Modules
module	mao_basis
	Calculate MAO's and analyze wavefunctions.

Functions/Subroutines
subroutine, public	mao_basis::mao_generate_basis (qs_env, mao_coef, ref_basis_set, pmat_external, smat_external, molecular, max_iter, eps_grad, nmao_external, eps1_mao, iolevel, unit_nr)
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