Title of article
A highly vectorised “link-cell” FORTRAN code for the DL_POLY molecular dynamics simulation package Original Research Article
Author/Authors
Kholmirzo Kholmurodov، نويسنده , , William Smith، نويسنده , , Kenji Yasuoka، نويسنده , , Toshikazu Ebisuzaki and Kazuki Koketsu، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2000
Pages
26
From page
167
To page
192
Abstract
Highly vectorised FORTRAN subroutines, based on the link-cell algorithm for DL_POLY molecular dynamics simulation package, are developed. For several specific benchmark systems the efficiency of the proposed codes on a Fujitsu VPP700/128E vector computer has been tested. It is shown that in constructing the neighbor list and in calculating atomic forces our link-cell method is significantly faster than the original code.
Journal title
Computer Physics Communications
Serial Year
2000
Journal title
Computer Physics Communications
Record number
1135288
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