• Title of article

    auto_deriv: Tool for automatic differentiation of a fortran code Original Research Article

  • Author/Authors

    S. Stamatiadis، نويسنده , , R. Prosmiti، نويسنده , , S.C Farantos، نويسنده ,

  • Issue Information
    دوهفته نامه با شماره پیاپی سال 2000
  • Pages
    13
  • From page
    343
  • To page
    355
  • Abstract
    auto_deriv is a module comprised of a set of fortran 90 procedures which can be used to calculate the first and second partial derivatives of any continuous function with many independent variables. The function should be expressed as one or more fortran 90 or fortran 77 procedures. A new type of variables is defined and the overloading mechanism of functions and operators provided by the fortran 90 language is extensively used to define the differentiation rules.
  • Keywords
    Non linear mechanics , Automatic differentiation , derivatives , Potential energy surfaces , Fortran 90 , molecular dynamics
  • Journal title
    Computer Physics Communications
  • Serial Year
    2000
  • Journal title
    Computer Physics Communications
  • Record number

    1135375