## Method of solution University of Belfast, N. Ireland (see application form in this A system of a few hundred molecules is simulated. The equaissue) tions of motion are solved in a series of time steps, at each of which the force on each mole~ule, due to its interaction with Computer: CDC 7600;I
C-language molecular dynamics program for the simulation of Lennard-Jones particles
✍ Scribed by Monika Bargieł; Witold Dzwinel; Jacek Kitowski; Jacek Mościński
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 881 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0010-4655
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In this paper we describe an algorithm suitable for molecular dynamics (MD) computer simulation of particles confined in a cylinder and interacting by short-ranged forces. A procedure for determining neighbours is based on sorting the particles according to values of one coordinate along the axis of
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