Subroutine constrained_to

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Subroutine `constrained_to_quantum`

$\begin{boxedminipage}{\textwidth} \begin{verbatim}call constrained_to_quantum(this,i)\end{verbatim} \end{boxedminipage}$

Convert a constrained atom's group to a normal group prior to quantum treatment The constraints are not deleted, just ignored. The number of degrees of freedom of the system is also updated.

this -- type(DynamicalSystem), intent(inout)

i -- integer, intent(in)

thermalize_bond subroutine

gabor 2009-06-30

Subroutine constrained_to_quantum

Subroutine `constrained_to_quantum`