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Manuscript Title: Transport collision integrals for a dilute gas.
Authors: H. O'Hara, F.J. Smith
Program title: TRANSPORT COLLISION INTEGRALS
Catalogue identifier: ACQN_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 2(1971)47
Programming language: Fortran.
Computer: ICL 1907.
Operating system: QUBE.
RAM: 21K words
Word size: 24
Keywords: Fluid dynamics, Gas, Atomic, Transport property, Collision integral, Impact parameter, Clenshaw-curtis, Potential, Orbiting, Lennard-jones, Chebyshev, Molecular.
Classification: 12.

Revision history:
Type Tit le Reference
correction 000A CORRECTION 10/03/71 See below
adaptation 0001ACQN ADAPTED FOR IBM 360/75 See below
correction A00ACORRECTION TO 0001 31/01/80 See below
adaptation 0002 ACQN FOR MINICOMPUTERS See below

Nature of problem:
The reduced collision integrals (Omega**(l,s))*(T) are calculated to any desired relative accuracy. These integrals are used for the determination of the transport properties of dilute gases.

Solution method:
The reduced collision integrals can be expressed in the form of triple integrals which are evaluated using the Clenshaw-Curtis quadrature formula. This method is ideally suited to the automatic evaluation of definite integrals because of its accuracy and the possible error estimates available. Some of the integrals evaluated in the program contain singularities or they are badly behaved; these difficulties are overcome by using various changes of variable.

Restrictions:
The values of L, S cannot exceed MAXL and MAXS respectively which are less than 6, and the number of reduced temperatures treated in one run cannot exceed 60. The program has been tested sucessfully for relative accuracies as small as 0.00001. The program is designed for any potential - specified in a function segment VF(R) which must be supplied by the user- which has an inner repulsive potential core and which falls to zero faster than 1/R**2 for large R.

Unusual features:
On machines with a floating point FORTRAN word length less than 48 bits the program should be run double length or failures may be flagged.

Running time:
On our ICL 1907(about the same speed as an IBM 7090) a set of transport properties at 40 different reduced temperatures and for 1<= L, S <= 6 can be calculated for the 12-6 potential to a relative accuracy 0.01 in 1 min. For an accuracy 0.0001, 10 min are required.

CORRECTION SUMMARY
Manuscript Title: Transport collision integrals for a dilute gas. (C.P.C. 2(1971)47).
Authors: H. O'Hara, F.J. Smith
Program title: 000A CORRECTION 10/03/71
Catalogue identifier: ACQN_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 2(1971)173
Classification: 12.

ADAPTATION SUMMARY
Manuscript Title: Program ACQN to calculate transport collision integrals adapted to run on IBM computers.
Authors: P.D. Neufeld, R.A. Aziz
Program title: 0001ACQN ADAPTED FOR IBM 360/75
Catalogue identifier: ACQN_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 3(1972)269
Programming language: Fortran.
Computer: IBM 360/75.
Operating system: OS/360.
RAM: 24K words
Word size: 32
Classification: 12.

Running time:
On the IBM 360/75 using FORTRAN H and a machine language object deck to eliminate compile time, the test run is executed in 18 s.

CORRECTION SUMMARY
Manuscript Title: Program ACQN to calculate transport collision integrals adapted to run on IBM computers. (C.P.C. 3(1972)269).
Authors: P.D. Neufeld, R.A. Aziz
Program title: A00ACORRECTION TO 0001 31/01/80
Catalogue identifier: ACQN_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 19(1980)271
Classification: 12.

ADAPTATION SUMMARY
Manuscript Title: Adaptation of the ACQN program to calculate transport collision integrals on minicomputers.
Authors: G. Hegyi, L. Barbu, L. Jakab
Program title: 0002 ACQN FOR MINICOMPUTERS
Catalogue identifier: ACQN_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 34(1984)219
Programming language: Fortran.
Classification: 12.

Unusual features:
In case (a) the ACQN program is decomposed into ten program segments and in case (b) into eight program segments. During program execution the interconnections between the appropriate segments are reestablished by the monitor according to the tree diagrams given in figs 1. and 2. In case (a) none of the segments should be longer than 64 K bytes, while in case (b) the longest branch of the tree is restricted to be shorter than 64 K bytes.

Running time:
On the FELIX C-256 computer the compilation of the adapted program takes approximately 201 s, link editing 23 s, and the test run, with the same input data as in the orginal program, requires 86 s. On the INDEPENDENT I-100 computer, where the floating point operations are software simulated, the test run requires 67 minutes.