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.
Revision | Description |
---|---|
r90649 | Shared arrays will be limited to NUMA nodes if MPI ranks are cpu-bound. Each processor socket is usually a NUMA node. |
r90365 | The D4 dispersion correction is now available for systems with periodic boundary conditions and in the DFTB engine |