Molecular Dynamics
LAMMPS Patch Release 27 Feb 2020
February 27, 2020
5 min read
LAMMPS Patch Release Overview
Changes since the patch release 18 February 2020:
- Further refactoring of the manual with significant corrections and updates to the introductory, build and package sections. Also, all remaining mathematical expressions typeset in LaTeX and included as pictures are now included as embedded math and will be rendered as needed during the creation of the documentation in either HTML or PDF or ePUB format. The embedded math in the HTML pages can now be viewed without internet access. Fixes to the embedded math to avoid errors with ePUB format output. Various updates and fixes to build procedures for USER-QMMM. (Axel Kohlmeyer and Richard Berger, Temple U) PR #1888 and PR #1903
- Updates to QM/MM compilation with Quantum Espresso version 6.3 and higher (Mariella Ippolito, CINECA) PR #1886
- bugfix for a race condition in temper commands in combination with timer timeout (Stephen Farr, University of Cambridge) PR #1892
- remove conditional C++11 check for a stable release. will become an unconditional check after the release. (Axel Kohlmeyer, Temple U) PR #1885
- avoid divergence and energy spikes in pair style thole of the USER-DRUDE package (Agilio Padua and Kateryna Goloviznina, ENS de Lyon) PR #1899
- a new example in the COUPLE folder for dynamically loading LAMMPS as a plugin into a C code (Axel Kohlmeyer, Temple U) PR #1900
- several small bugfixes and updates (various authors) PR #1897 , PR #1893 , PR #1896 , PR #1901 , PR #1894 , PR #1905 , PR #1908
Backward compatibility note:
- No known backward compatibility issues
This release has 2 assets:
- Source code (zip)
- Source code (tar.gz)
Visit the release page to download them.
About LAMMPS
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is an open-source molecular dynamics simulator written in C++ from Sandia National Laboratories and is designed for parallel machines. LAMMPS models an ensemble of particles in a liquid, solid or gaseous state. It can model atomic polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easily extensible.
Molecular Dynamics
LAMMPS Patch Release 27 Feb 2020
February 27, 20205 min read
LAMMPS Patch Release Overview
Changes since the patch release 18 February 2020:
- Further refactoring of the manual with significant corrections and updates to the introductory, build and package sections. Also, all remaining mathematical expressions typeset in LaTeX and included as pictures are now included as embedded math and will be rendered as needed during the creation of the documentation in either HTML or PDF or ePUB format. The embedded math in the HTML pages can now be viewed without internet access. Fixes to the embedded math to avoid errors with ePUB format output. Various updates and fixes to build procedures for USER-QMMM. (Axel Kohlmeyer and Richard Berger, Temple U) PR #1888 and PR #1903
- Updates to QM/MM compilation with Quantum Espresso version 6.3 and higher (Mariella Ippolito, CINECA) PR #1886
- bugfix for a race condition in temper commands in combination with timer timeout (Stephen Farr, University of Cambridge) PR #1892
- remove conditional C++11 check for a stable release. will become an unconditional check after the release. (Axel Kohlmeyer, Temple U) PR #1885
- avoid divergence and energy spikes in pair style thole of the USER-DRUDE package (Agilio Padua and Kateryna Goloviznina, ENS de Lyon) PR #1899
- a new example in the COUPLE folder for dynamically loading LAMMPS as a plugin into a C code (Axel Kohlmeyer, Temple U) PR #1900
- several small bugfixes and updates (various authors) PR #1897 , PR #1893 , PR #1896 , PR #1901 , PR #1894 , PR #1905 , PR #1908
Backward compatibility note:
- No known backward compatibility issues
This release has 2 assets:
- Source code (zip)
- Source code (tar.gz)
Visit the release page to download them.
About LAMMPS
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is an open-source molecular dynamics simulator written in C++ from Sandia National Laboratories and is designed for parallel machines. LAMMPS models an ensemble of particles in a liquid, solid or gaseous state. It can model atomic polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easily extensible.
