Moldy: a portable molecular dynamics simulation program for serial and parallel computers
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https://data.mendeley.com/datasets/rgnh52j3st
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资源简介：
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
Moldy is a highly portable C program for performing molecular-dynamics simulations of solids and liquids using periodic boundary conditions. It runs in serial mode on a conventional workstation or on a parallel system using an interface to a parallel communications library such as MPI or BSP. The “replicated data” parallelization strategy is used to achieve reasonable performance with a minimal difference between serial and parallel code. The code has been optimized for high performance in bo...
Title of program: Moldy
Catalogue Id: ADLT_v1_0
Nature of problem
Statistical thermodynamics of liquids and solids.
Versions of this program held in the CPC repository in Mendeley Data
ADLT_v1_0; Moldy; 10.1016/S0010-4655(99)00496-8
创建时间：
2018-12-04
