Documentation for module minbas_methods

Calculate localized minimal basis

source: minbas_methods.F
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public Subroutines/Functions:

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SUBROUTINEminbas_calculation(qs_env, mos, quambo, mao, iounit, full_ortho, eps_filter)

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Arguments:
POINTER
:: qs_env ...
POINTER
:: mos(:) ...
POINTER
:: quambo(:) ...
OPTIONAL, POINTER
:: mao(:) ...
INTEGER,
INTENT(in),
OPTIONAL
:: iounit ...
LOGICAL,
INTENT(in),
OPTIONAL
:: full_ortho ...
REAL(dp),
INTENT(in),
OPTIONAL
:: eps_filter ...