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View Code? Open in Web Editor NEWOLD: GitHub Tutorial Repo for the LAMMPS workshop 2017 (DEMO ONLY)
License: GNU General Public License v2.0
OLD: GitHub Tutorial Repo for the LAMMPS workshop 2017 (DEMO ONLY)
License: GNU General Public License v2.0
This is the LAMMPS software package. LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. ---------------------------------------------------------------------- LAMMPS is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. It was developed at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL) version 2. The code is maintained by the LAMMPS development team who can be emailed at [email protected]. The LAMMPS WWW Site at www.lammps.org has more information about the code and its uses. The LAMMPS distribution includes the following files and directories: README this file LICENSE the GNU General Public License (GPL) bench benchmark problems cmake CMake build files doc documentation examples simple test problems fortran Fortran wrapper for LAMMPS lib additional provided or external libraries potentials interatomic potential files python Python wrappers for LAMMPS src source files tools pre- and post-processing tools Point your browser at any of these files to get started: https://docs.lammps.org/Manual.html LAMMPS manual https://docs.lammps.org/Intro.html hi-level introduction https://docs.lammps.org/Build.html how to build LAMMPS https://docs.lammps.org/Run_head.html how to run LAMMPS https://docs.lammps.org/Commands_all.html Table of available commands https://docs.lammps.org/Library.html LAMMPS library interfaces https://docs.lammps.org/Modify.html how to modify and extend LAMMPS https://docs.lammps.org/Developer.html LAMMPS developer info You can also create these doc pages locally: % cd doc % make html # creates HTML pages in doc/html % make pdf # creates Manual.pdf
Jennifer A Clark
North Carolina State University
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Edit file and implement
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Fix errors and push
Successfully merged
Confirm that Python 3, pip, and virtualenv are available
make -j 4 html
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Richard Berger (Temple University)
Issues are used to report problems in the code and making feature requests.
They support a range of different formats:
bold and italic
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some inline code i++
or full sections of code in different languages:
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Reference other people using @username, to add context and make them aware of your message (@andeplane). They'll get a notification.
And if you have to reference a different issue or pull request, use the hashtag followed by its number to automatically create a link: #1
Amalie is trying to do the exercises.
This will be an enhancement of Amalie's knowledge of git.
Explain how you would like to see LAMMPS enhanced, what feature(s) you are looking for, provide references to relevant background information, and whether you are willing to implement the enhancement yourself or would like to participate in the implementation
Please specify which LAMMPS version this issue was detected with. If this is not the latest development version, please stop and test that version, too, and report it here if the bug persists
Describe the expected behavior. Quote from the LAMMPS manual where needed or explain why the expected behavior is meaningful, especially when it differs from the manual
Describe the actual behavior, how it differs from the expected behavior, and how this can be observed. Try to be specific and do *not use vague terms like "doesn't work" or "wrong result". Do not assume that the person reading this has any experience with or knowledge of your specific research.
Describe the steps required to quickly reproduce the issue. You can attach (small) files to the section below or add URLs where to download an archive with all necessary files. Please try to create input that are as small as possible and run as fast as possible. NOTE: the less effort and time it takes to reproduce your issue, the more likely, that somebody will look into it.
Steps to perform:
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