Enhancing scalability of the effective fragment molecular orbital method: OpenMP parallelization for MAKEFP

被引：0
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作者：
Gunina, Anastasia [1 ]
Gordon, Mark [2 ]
机构：
[1] Ames Lab, Ames, IA USA
[2] Iowa State Univ, Ames Lab US DOE, Ames, IA USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 255卷
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D O I：
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
355
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页数：1
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