Function centre_of

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Function `centre_of_mass`

$\begin{boxedminipage}{\textwidth} \begin{verbatim}CoM = centre_of_mass(at[,index_list,origin])\end{verbatim} \end{boxedminipage}$

Calculate the centre of mass of an atoms object, using the closest images to the origin atom, or first atom if this is not specified. If an index_list is present, just calculate it for that subset of atoms (then the origin atom is the first in this list unless it is specified separately).

Note: Because the origin can be specified separately it need not be one of the atoms in the calculation.

at -- type(atoms), intent(in)

index_list -- integer, dimension(:), optional, intent(in)

origin -- integer, optional, intent(in)

Return value -- real(dp), dimension(3)

cosangle_to_line function

gabor 2009-06-30

Function centre_of_mass

Function `centre_of_mass`