NLSL: momdls.f90 File Reference

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momdls.f90 File Reference

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## Functions/Subroutines
subroutine | momdls (fparmi, iparmi, icalc, al, be, bss, iprune, spectr, work, nft, ntotal, ierr)
| Subroutine version of EPRLL family of programs. This routine is intended for use with nonlinear least-squares applications. The routine calculates a MOMD 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. More...

## Function/Subroutine Documentation

subroutine momdls | ( | double precision, dimension(nfprm) | fparmi,
|  | integer, dimension(niprm) | iparmi,
|  | integer | icalc,
|  | double complex, dimension(ntotal) | al,
|  | double complex, dimension(ntotal) | be,
|  | integer, dimension(5,mxdim) | bss,
|  | integer | iprune,
|  | double precision, dimension(*) | spectr,
|  | double precision, dimension(*) | work,
|  | integer | nft,
|  | integer | ntotal,
|  | integer | ierr
| ) |  |

Subroutine version of EPRLL family of programs. This routine is intended for use with nonlinear least-squares applications. The routine calculates a MOMD 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 MOMD orientations is not greater than 1, or if there is no potential defined, a single spectral calculation is carried out.

Parameters

  al(mxdim) | Diagonal of tridiagonal matrix for spectrum
  be(mxdim) | Off-diagonal of tridiagonal matrix for spectrum
  cgerr | Residual error in CG solution vector
  ntotal | Number of CG steps taken (total number for all orientations in MOMD calculations)
  ierr | Error flag

Author
  Written by DEB, 26-Sep-91 based on programs from DJS

Definition at line 52 of file momdls.f90.

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