Passing dynamic objects by reference in Fortran 90: Application to time-dependent quantum chemistry

V. Alexandrov, I. Filippov, L. Adamowicz, W. R. Salzman

Research output: Contribution to journalArticle

Abstract

A new effective strategy of passing large variable size objects to subroutines and back in FORTRAN 90 is described. The objects are passed by reference utilizing user-defined pointer type variables declared in a shared module. The efficiency of the developed approach is demonstrated by applying it to program the analytic solution for action of the powers of Hamiltonian on the Hermite polynomial type basis function.

Original languageEnglish (US)
Pages (from-to)25-31
Number of pages7
JournalComputers and Chemistry
Volume23
Issue number1
DOIs
StatePublished - Jan 1 1999

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Keywords

  • FORTRAN 90
  • Hamiltonian
  • Object-oriented
  • Pointer
  • Quantum
  • Time-dependent

ASJC Scopus subject areas

  • Biotechnology
  • Applied Microbiology and Biotechnology
  • Chemical Engineering(all)

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