Abstract
<p>We have been developing an original program named ABINIT-MP for fragment molecular orbital (FMO) calculations. Various functionalities for interaction analyses, e.g. PIEDA (Pair Interaction Energy Decomposition Analysis), have been augmented in Revision 10 and Revision 15 of the ABINIT-MP Open Series Version 1. In this Letter, we briefly describe such new features.</p>
| Translated title of the contribution | Current Status of ABINIT-MP Open Series |
|---|---|
| Original language | Japanese |
| Pages (from-to) | 129-131 |
| Number of pages | 3 |
| Journal | Journal of Computer Chemistry, Japan |
| Volume | 18 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 2019 |