A NEW METHOD OF ERROR ANALYSIS FOR MOLECULAR SIMULATIONS

被引：2

作者：

DEITRICK, GL

SCRIVEN, LE

DAVIS, HT

机构：

[1] Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1991年 / 62卷 / 2-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0010-4655(91)90104-S

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

This paper compares the performance of the autocovariance integration method with the standard block variance method for estimating the random error of simulation results, and presents computer code with which the newer autocovariance analysis has been applied.

引用

页码：327 / 335

页数：9

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