速報
FMOプログラムABINIT-MPの整備状況2022
2022 年 21 巻 4 号 p. 106-110
詳細
2022 年 21 巻 4 号 p. 106-110
We have been developing the ABINIT-MP program for fragment molecular orbital (FMO) calculations over 20 years. Several improvements for accelerated processing were made after the release of Open Version 2 Revision 4 at September 2021. Functionalities were enhanced as well. In this short report, we summarize such developments toward the next release of Revision 8.
