用Fortran 90面向对象构造多重网格电子结构程序
Object-oriented construction of a multigrid electronic-structure code with Fortran 90
摘要：
我们描述了面向对象的实现高阶有限差分密度函数的代码在Fortran 90。网格和相关对象的面向对象的模型构建和实施的一个有效的单向多重网格方法，我们最近提出的密度泛函电子结构计算。详细分析了单向多重网格方案的性能和策略。
英文摘要：
We describe the object-oriented implementation of a higher-order finite-difference density-functional code in Fortran 90. Object-oriented models of grid and related objects are constructed and employed for the implementation of an efficient one-way multigrid method we have recently proposed for the density-functional electronic-structure calculations. Detailed analysis of performance and strategy of the one-way multigrid scheme will be presented.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
