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

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

doi:10.1016/S0097-8485(98)00027-8

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 journal › Article › peer-review

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 language	English (US)
Pages (from-to)	25-31
Number of pages	7
Journal	Computers and Chemistry
Volume	23
Issue number	1
DOIs	https://doi.org/10.1016/S0097-8485(98)00027-8
State	Published - 1999

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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10.1016/S0097-8485(98)00027-8

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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.",

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AU - Filippov, I.

AU - Adamowicz, L.

AU - Salzman, W. R.

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Y1 - 1999

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AB - 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.

KW - FORTRAN 90

KW - Hamiltonian

KW - Object-oriented

KW - Pointer

KW - Quantum

KW - Time-dependent

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

Abstract

Keywords

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