Optimization of the CMDFT Code

Zhang, Xiaoguang¹  Kent, P. R. C.² 

[1]ORNL

[2]University of Tennessee, Knoxville (UTK)

关键词: COMMUNICATIONS;    ELECTRONIC STRUCTURE;    ELECTRONS;    FUNCTIONALS;    NUCLEI;    OPTIMIZATION;    VELOCITY;   

DOI  :  10.2172/1024216
RP-ID  :  ORNL/TM-2006/578
PID  :  OSTI ID: 1024216
Others  :  Other: KJ0102000
Others  :  ERKJZN1
Others  :  TRN: US201120%%22

学科分类：社会科学、人文和艺术（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

This report outlines the optimization of the CMDFT code by Xiaoguang Zhang during June-July 2006. The overall improvement in speed is nearly 40%. Possible further optimizatins are also discussed.