Molpro: links to other resources

  • molproView is a web-based tool for graphical display of the output of Molpro jobs
  • Pacific Northwest National Laboratory provides a basis set archive which can deliver orbital basis sets in a form appropriate for MOLPRO: [original] [UK mirror]
  • The MOLDEN program can be used to plot orbitals, densities, and normal modes produced by MOLPRO.
  • Chemcraft is a graphical program for working with quantum chemistry computations.
  • The file molpro.el implements a MOLPRO-aware emacs major mode that can simplify job preparation, submission and examination.
  • The Global Arrays Toolkit is needed to compile parallel MOLPRO.
  • Porland keep a list of tips for building MOLPRO with their compilers.

External BLAS & Lapack libraries

  • AMD Core Math Library (ACML)
  • Automatically Tuned Linear Algebra Software (ATLAS)