Git Product home page Git Product logo

linjinghua / lammps Goto Github PK

View Code? Open in Web Editor NEW

This project forked from lammps/lammps

0.0 1.0 0.0 374.57 MB

Public development project of the LAMMPS MD software package

Home Page: http://lammps.sandia.gov

License: GNU General Public License v2.0

Python 4.61% Shell 0.87% Tcl 9.06% Roff 0.35% C 1.02% CMake 0.53% Cuda 1.64% C++ 76.36% Makefile 0.27% Fortran 3.39% xBase 0.01% Perl 0.30% Gnuplot 0.01% Jupyter Notebook 0.99% Emacs Lisp 0.01% Vim Script 0.01% Arc 0.12% MATLAB 0.05% TeX 0.41% Awk 0.01%

lammps's Introduction

LAMMPS

Adapt the code of lammps-induced-dipole-polarization-pair-style to the latest version of lammps

Build & Run

Pre-requisites

  • UNIX systems

Build from source

cmake
mkdir -p build && cd build
# Disable package 'MOLECULE'(Conflict with atom_vec_full)
cmake -DCMAKE_BUILD_TYPE=Release -DPKG_MOLECULE=OFF -DPKG_KSPACE=ON -DPKG_RIGID=ON -DPKG_USER-POLAR=ON ../cmake/
# cmake -DCMAKE_BUILD_TYPE=Debug -DPKG_MOLECULE=OFF -DPKG_KSPACE=ON -DPKG_RIGID=ON -DPKG_USER-POLAR=ON ../cmake/
make
make
cd src
make no-molecule
make yes-kspace yes-rigid yes-user-polar
make serial
# make no-molecule no-kspace no-rigid no-user-polar

Acknowledgements

Special thanks to the contributors:

lammps's People

Contributors

akohlmey avatar stanmoore1 avatar rbberger avatar junghans avatar ibaned avatar pakketeretet2 avatar julient31 avatar jrgissing avatar andeplane avatar ndtrung81 avatar rhalver avatar cnegre avatar giacomofiorin avatar urpedersen avatar martok avatar stonecp avatar danicholson avatar linjinghua avatar dstelter92 avatar dallastrinkle avatar aershadinia avatar pastewka avatar v0i0 avatar athomps avatar gtribello avatar tonnamb avatar pablopiaggi avatar ellio167 avatar wmbrownintel avatar oywg11 avatar

Watchers

James Cloos avatar

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.