next up previous contents index
Next: Interface Minim Up: Module MetaPotential_module Previous: Interface Cutoff   Contents   Index

Interface Calc


\begin{boxedminipage}{\textwidth} \begin{verbatim}call Calc(this,at[,e,local_e, & f,df,virial,args_str, & err])\end{verbatim} \end{boxedminipage}

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

at -- type(Atoms), intent(inout)

e -- real(dp), intent(out), optional

local_e -- real(dp), intent(out), optional, dimension(:)

f -- real(dp), intent(out), optional, dimension(:,:)

df -- real(dp), intent(out), optional, dimension(:,:)

virial -- real(dp), intent(out), optional, dimension(3,3)

args_str -- character(len=*), intent(in), optional

err -- integer, intent(out), optional

Minim interface
gabor 2009-06-30