[Published online Journal of Computer Chemistry, Japan Vol.19, 142-145, by J-STAGE]
<Title:> FMOプログラムABINIT-MPの整備状況2020
<Author(s):> 望月 祐志, 坂倉 耕太, 渡邊 啓正, 奥脇 弘次, 加藤 幸一郎, 渡辺 尚貴, 沖山 佳生, 福澤 薫, 中野 達也
<Corresponding author E-Mill:> fullmoon(at)rikkyo.ac.jp
<Abstract:> We have been developing the ABINIT-MP program for fragment molecular orbital (FMO) calculations. In this report, improvements in the latest release Ver. 1 Rev. 22 and demonstrative applications on the Fugaku and ITO supercomputers are summarized.
<Keywords:> Fragment molecular orbital, FMO, ABINIT-MP, Supercomputer
<URL:> https://www.jstage.jst.go.jp/article/jccj/19/4/19_2021-0015/_article/-char/ja/
<Title:> FMOプログラムABINIT-MPの整備状況2020
<Author(s):> 望月 祐志, 坂倉 耕太, 渡邊 啓正, 奥脇 弘次, 加藤 幸一郎, 渡辺 尚貴, 沖山 佳生, 福澤 薫, 中野 達也
<Corresponding author E-Mill:> fullmoon(at)rikkyo.ac.jp
<Abstract:> We have been developing the ABINIT-MP program for fragment molecular orbital (FMO) calculations. In this report, improvements in the latest release Ver. 1 Rev. 22 and demonstrative applications on the Fugaku and ITO supercomputers are summarized.
<Keywords:> Fragment molecular orbital, FMO, ABINIT-MP, Supercomputer
<URL:> https://www.jstage.jst.go.jp/article/jccj/19/4/19_2021-0015/_article/-char/ja/
