Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
Letters (Selected Paper)
Development Status of ABINIT-MP in 2022
Yuji MOCHIZUKI, Tatsuya NAKANO, Kota SAKAKURA, Hiromasa WATANABE, Shinya SATO, Koji OKUWAKI, Kazuki AKISAWA, Hideo DOI, Satoshi OHSHIMA, Takahiro KATAGIRI
Author information
JOURNAL FREE ACCESS FULL-TEXT HTML

2022 Volume 21 Issue 4 Pages 106-110

Details
Abstract

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.

Fullsize Image
Content from these authors
© 2022 Society of Computer Chemistry, Japan
Previous article Next article
feedback
Top