New features and major improvements to the last ADF Modeling Suite release, listing last changes first. The revision number corresponds to that of the development snapshots.
|r104261||AMS driver: If bond orders are requested but the engine cannot compute them, use a bond guessing algorithm to generate bonds and populate the results.|
|r103037||Reaxff: Added eReaxff2 by Samuel Bertolini and Timo Jacob|
|r102838||AMS MD: Add Todd Martinez' nanoreactor to the AMS molecular dynamics.|
|r102085||AMS2022.101 released (Feb 28th, 2022)|