LAMMPS Patch Release 9 Jan 2020
LAMMPS Patch Release Overview Changes since the patch release 20 November 2019: More flexible handling of certificates in KIM package (Yaser Afshar, UMN) PR #1794 Expose LAMMPS neighbor lists to…
LAMMPS Patch Release 20 November 2019
LAMMPS Patch Release Overview Changes since the patch release 30 October 2019: new command kim_param to access KIM model parameters, (Yaser Afshar and the OpenKIM team at UMN), PR #1745 new compute style gyration/shape/chunk to…
LAMMPS Patch Release 30 October 2019
Patch Release 30 October 2019 Changes since patch release 19 September 2019: new third_order command, a companion command to dynamical_matrix, that calculates the third order force constant tensor from finite differences, (Charles Sievers,…
LAMMPS Patch Release 19 July 2019
New LAMMPS Patch Release Update LAMMPS Changes since patch release 18 June 2019: optimized version of SNAP potential in KOKKOS package, Rahul Gayatri (NERSC), Stan Moore (SNL), Aidan Thompson (SNL),…
LAMMPS Patch Release 18 June 2019
Changes since patch release 5 June 2019: using PLUMED to compute committor with LAMMPS, PR #1516, Gareth Tribello, Queen’s U Belfast) correctly support hybrid pair styles with computes from the USER-TALLY…