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OLD: GitHub Tutorial Repo for the LAMMPS workshop 2017 (DEMO ONLY)

License: GNU General Public License v2.0

Python 0.58% Shell 0.57% Tcl 11.70% Roff 0.32% C 1.04% C++ 78.08% Makefile 0.28% Cuda 1.88% CMake 0.30% Fortran 3.66% Perl 0.01% Gnuplot 0.01% Jupyter Notebook 1.58%

lammps-git-tutorial-2017's Introduction

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

lammps-git-tutorial-2017's People

Contributors

andeplane avatar rbberger avatar

Stargazers

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Watchers

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lammps-git-tutorial-2017's Issues

Tutorial Exercises

Summary

Jennifer A Clark
North Carolina State University

Exercises

Exercise 1

  • Create Issue

Exercise 2

  • Create Fork

  • Clone Fork

  • Add Upstream as remote

Exercise 3

  • Copy Files

  • Edit file and implement

  • Create new feature branch

  • Push new branch to fork

Exercise 4

  • Create Branch request

Exercise 5

  • Fix errors and push

  • Successfully merged

Bonus

  • Confirm that Python 3, pip, and virtualenv are available

  • make -j 4 html

  • Successfully view docs

Tutorial Template

Richard Berger (Temple University)

  • Exercise 1
  • Exercise 2
  • Exercise 3
  • Exercise 4
  • Exercise 5
  • Exercise 6
  • Exercise 7

First tutorial issue

Issues are used to report problems in the code and making feature requests.

They support a range of different formats:

First Level Header

Second Level Header

Third Level Header

bold and italic

quotations of other text

some inline code i++

or full sections of code in different languages:

C++

int main() {
    return 0;
}

Bash

#!/bin/bash
echo "Hello World!"

Add a link

unordered list

  • one
  • two
  • three

ordered list

  1. first element
  2. second element
  3. third element

checkable task lists

  • Task A
  • Task B
  • Task C

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

Performing exercises

Summary

Amalie is trying to do the exercises.

Type of Issue

This will be an enhancement of Amalie's knowledge of git.

Detailed Description (Enhancement Suggestion)

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

LAMMPS Version (Bug Report)

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

Expected Behavior (Bug Report)

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

Actual Behavior (Bug Report)

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.

Steps to Reproduce (Bug Report)

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.

Further Information, Files, and Links

Steps to perform:

  • [] Exercise 1
    -[] Exercise 2

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