Documentation for module mao_optimizer

Calculate MAO's and analyze wavefunctions

source: mao_optimizer.F
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public Subroutines/Functions:

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SUBROUTINEmao_optimize(mao_coef, matrix_q, matrix_smm, electra, max_iter, eps_grad, eps1, iw)

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Arguments:
POINTER
:: mao_coef(:) ...
POINTER
:: matrix_q(:) ...
POINTER
:: matrix_smm(:) ...
REAL(dp),
INTENT(in)
:: electra(:) ...
INTEGER,
INTENT(in)
:: max_iter ...
REAL(dp),
INTENT(in)
:: eps_grad ...
REAL(dp),
INTENT(in)
:: eps1 ...
INTEGER,
INTENT(in)
:: iw ...