Geodesic
SSE-algorithm of molecular dynamics
Matematičeskoe modelirovanie, Tome 15 (2003) no. 12, pp. 118-128

Voir la notice de l'article provenant de la source Math-Net.Ru

C++ program for coprocessor and assembler program for multimedia SSE-registers are described. They calculate distances and forces for simple spherical particles interact according to Lennard-Jones potential in off lattice molecular dynamics with periodic boundary conditions. The assembler program quickens up integration of motion equations more then twice relative tp the same algorithm executing by coprocessor under equal terms. The assembler program permits to vary parameters of Lennard-Jones potential, including mixture simulation of spherical particles of different size and various interaction energies. Besides it is needless particles number would be multiple of four. The structured algorithm permits to use another type of short range potential by remaking of one block only. The algorithm also operates with chain molecules which lengths are less then simulating system size. 
@article{MM_2003_15_12_a8,
     author = {E. M. Pestryaev},
     title = {SSE-algorithm of molecular dynamics},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {118--128},
     publisher = {mathdoc},
     volume = {15},
     number = {12},
     year = {2003},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2003_15_12_a8/}
}
TY  - JOUR
AU  - E. M. Pestryaev
TI  - SSE-algorithm of molecular dynamics
JO  - Matematičeskoe modelirovanie
PY  - 2003
SP  - 118
EP  - 128
VL  - 15
IS  - 12
PB  - mathdoc
UR  - http://geodesic.mathdoc.fr/item/MM_2003_15_12_a8/
LA  - ru
ID  - MM_2003_15_12_a8
ER  - 
%0 Journal Article
%A E. M. Pestryaev
%T SSE-algorithm of molecular dynamics
%J Matematičeskoe modelirovanie
%D 2003
%P 118-128
%V 15
%N 12
%I mathdoc
%U http://geodesic.mathdoc.fr/item/MM_2003_15_12_a8/
%G ru
%F MM_2003_15_12_a8
E. M. Pestryaev. SSE-algorithm of molecular dynamics. Matematičeskoe modelirovanie, Tome 15 (2003) no. 12, pp. 118-128. http://geodesic.mathdoc.fr/item/MM_2003_15_12_a8/