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- W4238134817 abstract "We have been developing the ABINIT-MP program for fragment molecular orbital (FMO) calculations over 20 years. In 2021, the Open Version 2 series has started for large scale systems consisting of more than ten thousand fragments. This letter describes the current status of ABINIT-MP, including the speed-up as well as the situation of distributions over supercomputing facilities in Japan." @default.
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- W4238134817 date "2021-01-01" @default.
- W4238134817 modified "2023-10-18" @default.
- W4238134817 title "Development Status of ABINIT-MP in 2021" @default.
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- W4238134817 doi "https://doi.org/10.2477/jccj.2022-0001" @default.
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