Milestone 1: 1st release of EXAALT package
Owner: Arthur Voter
The first code release will reflect the initial integration of LAMMPS, LATTE, and ParSplice into a unified simulation package that allows for long timescale accelerated MD simulations using a range of interatomic interactions, including DFTB and empirical potentials. The different capabilities will be integrated so that capabilities of the different codes will be available from a single simulation framework.
Milestone Execution Responsibility: Arthur F. Voter, Danny Perez, Marc Cawkwell, Anders Niklasson, Aidan Thompson, Steve Plimpton
Milestone Execution Plan:
Integration of LAMMPS, LATTE, and ParSplice into the ALT-MD package
Milestone Resource Requirements: 36%
Milestone Linkage: Must be completed before Milestone 2.
Milestone Completion Criteria:
The code will be released to a software repository that will be accessible to the ECP leadership and, upon receiving the proper authorizations, to the public. The features of the released code will be documented and a written summary will be handed off to the ECP leadership.