Dumbell—A program to calculate the structure and thermodynamics of a classical fluid of hard, homonuclear diatomic molecules
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资源简介：
Title of program: DUMBELL
Catalogue Id: AADS_v1_0
Nature of problem
Calculation of the spherical harmonic coefficients of the pair distribution, direct correlation, and other functions of a fluid of hard, homonuclear diatomic molecules and from these its thermodynamics.
Versions of this program held in the CPC repository in Mendeley Data
AADS_v1_0; DUMBELL; 10.1016/0010-4655(86)90168-2
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序名称：DUMBELL
目录编号：AADS_v1_0
问题本质
针对硬球同核双原子分子（homonuclear diatomic molecules）流体，计算其对分布函数（pair distribution function）、直接相关函数（direct correlation function）及其他相关函数的球谐系数（spherical harmonic coefficients），并基于上述参数推导其热力学性质。
Mendeley数据平台CPC程序库中收录的该程序版本
AADS_v1_0; DUMBELL; 10.1016/0010-4655(86)90168-2
本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）
创建时间：
2019-12-22
