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#format wiki
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#Please change following line to BDF module name

= NumGrad =
<<TableOfContents(4)>>

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NumGrad is used to calculate numerical gradients. It can not linked with BDFOPT module now.
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== General keywords ==
=== RSTEP ===
{{{#!wiki
   The numerical difference, default is 1.D-5. 
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=== SCF ===
{{{#!wiki
 Calculate SCF numerical gradient.
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=== MCSCF ===
{{{#!wiki
 Calculate MCSCF numerical gradient.
}}}

=== XIANCI ===
{{{#!wiki
 Calculate XIANCI methods numerical gradient.
}}}



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