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 style belongs to, and will also notify if a package has been installed, but the style is missing because it depends on another package, which is not installed. PR #1419 (Axel Kohlmeyer)
  • Add option to compute coord/atom to restrict the coordination number by allowing only members of a specific group to be counted. PR #1464 (Axel Kohlmeyer, Temple U)
  • Do not enable OpenMP (i.e. BUILD_OMP) by default with gcc 9.x due to incompatibilities in the OpenMP directive semantics. PR #1483 (Axel Kohlmeyer, Temple U)
  • Updates for restart file processing of fixes atom/swap, deposit, and gcmc. Now it is checked that the time step was not reset and the number of total MC attempts and successful MC attempts are restarted, too. PR #1484 (Axel Kohlmeyer, Temple U)
  • Properly and cleanly support pair style hybrid and hybrid/overlay for pair_style quip. PR #1479 (Axel Kohlmeyer)
  • Make sure that format style variables (and format suffixes in immediate variables) only use valid conversions. PR #1475 (Axel Kohlmeyer, Temple U)
  • Bugfix for KOKKOS pair styles eam/alloy/kk and eam/fs/kk. PR #1467 (Stan Moore, SNL)
  • Fix for memory leak in KOKKOS neighbor list creation; PR #1474 (Stan Moore, SNL)
  • Update list of examples in manual and examples/README. PR #1465 (Axel Kohlmeyer, Temple U)
  • Documentation updates, remove some obsolete content, re-enable Sphinx 2.x for processing of the documentation, and correct some links to packages. PR #1475, PR #1465 (Axel Kohlmeyer, Temple U)
  • Avoid segmentation fault on unexpected empty lines in Coeff sections of data files. PR #1465 (Axel Kohlmeyer, Temple U)

Backward compatibility notices:

  • Restart files for simulations using fix atom/swap, fix deposit, or fix gcmc are not backward compatible due to changes in the processing of restart files for them. You can still restart the simulation, but you cannot correctly restart the fixes from restart files created with older versions of LAMMPS

This release has 2 assets:

  • Source code (zip)
  • Source code (tar.gz)

Visit the release page to download them.

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