\hypertarget{momdls_8f90}{}\section{momdls.\+f90 File Reference}
\label{momdls_8f90}\index{momdls.\+f90@{momdls.\+f90}}
\subsection*{Functions/\+Subroutines}
\begin{DoxyCompactItemize}
\item 
subroutine \hyperlink{momdls_8f90_ac4a32504f4ecbaad49ecd2d60a79eeb6}{momdls} (fparmi, iparmi, icalc, al, be, bss, iprune, spectr, work, nft, ntotal, ierr)
\begin{DoxyCompactList}\small\item\em Subroutine version of E\+P\+R\+L\+L family of programs. This routine is intended for use with nonlinear least-\/squares applications. The routine calculates a M\+O\+M\+D spectrum by averaging spectra for a specified number of orientation using the parameters passed in the fparm and iparm arrays. Spectra are calculated using the Conjugate Gradients version of the Lanczos algorithm. \end{DoxyCompactList}\end{DoxyCompactItemize}


\subsection{Function/\+Subroutine Documentation}
\hypertarget{momdls_8f90_ac4a32504f4ecbaad49ecd2d60a79eeb6}{}\index{momdls.\+f90@{momdls.\+f90}!momdls@{momdls}}
\index{momdls@{momdls}!momdls.\+f90@{momdls.\+f90}}
\subsubsection[{momdls}]{\setlength{\rightskip}{0pt plus 5cm}subroutine momdls (
\begin{DoxyParamCaption}
\item[{double precision, dimension(nfprm)}]{fparmi, }
\item[{integer, dimension(niprm)}]{iparmi, }
\item[{integer}]{icalc, }
\item[{double complex, dimension(ntotal)}]{al, }
\item[{double complex, dimension(ntotal)}]{be, }
\item[{integer, dimension(5,mxdim)}]{bss, }
\item[{integer}]{iprune, }
\item[{double precision, dimension($\ast$)}]{spectr, }
\item[{double precision, dimension($\ast$)}]{work, }
\item[{integer}]{nft, }
\item[{integer}]{ntotal, }
\item[{integer}]{ierr}
\end{DoxyParamCaption}
)}\label{momdls_8f90_ac4a32504f4ecbaad49ecd2d60a79eeb6}


Subroutine version of E\+P\+R\+L\+L family of programs. This routine is intended for use with nonlinear least-\/squares applications. The routine calculates a M\+O\+M\+D spectrum by averaging spectra for a specified number of orientation using the parameters passed in the fparm and iparm arrays. Spectra are calculated using the Conjugate Gradients version of the Lanczos algorithm. 

If the parameter specifying the number of M\+O\+M\+D orientations is not greater than 1, or if there is no potential defined, a single spectral calculation is carried out. 
\begin{DoxyParams}{Parameters}
{\em al(mxdim)} & Diagonal of tridiagonal matrix for spectrum \\
\hline
{\em be(mxdim)} & Off-\/diagonal of tridiagonal matrix for spectrum\\
\hline
{\em cgerr} & Residual error in C\+G solution vector\\
\hline
{\em ntotal} & Number of C\+G steps taken (total number for all orientations in M\+O\+M\+D calculations)\\
\hline
{\em ierr} & Error flag \\
\hline
\end{DoxyParams}
\begin{DoxyAuthor}{Author}
Written by D\+E\+B, 26-\/\+Sep-\/91 based on programs from D\+J\+S 
\end{DoxyAuthor}


Definition at line 52 of file momdls.\+f90.



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