速報
FMOプログラムABINIT-MPの整備状況2020
2020 年 19 巻 4 号 p. 142-145
詳細
2020 年 19 巻 4 号 p. 142-145
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.
