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    LAMMPS, Molecular Dynamics

    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…

    Exxact Corporation, November 20, 2019 0 1 min read
    LAMMPS, Molecular Dynamics

    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,…

    Exxact Corporation, October 31, 2019 0 2 min read
    LAMMPS, Molecular Dynamics

    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),…

    Exxact Corporation, July 25, 2019 0 2 min read
    LAMMPS, Molecular Dynamics, News

    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…

    Exxact Corporation, June 20, 2019 0 2 min read
    LAMMPS, Molecular Dynamics

    LAMMPS Patch Release 31 May 2019

    New LAMMPS Patch Release Update Changes since patch release 15 May 2019: More meaningful error messages when a style is not found. Now LAMMPS will report, which package an unrecognized…

    Exxact Corporation, June 4, 2019 0 2 min read
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