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Introduction

Installation

For the general installation instruction please refer to the documentation of LAMMPS and to SPH-USER package:

Installation examples

Ubuntu 12.04.5 LTS (Precise Pangolin)

  • Install libraries
sudo apt-get install git
sudo apt-get install openmpi-dev
sudo apt-get install openmpi-bin
sudo apt-get install libjpeg-dev
  • Clone the repository
git clone https://github.com/slitvinov/lammps-sph-multiphase.git lammps-sph
  • Build the package
cd lammps-sph/src
make yes-USER-SPH
make linux CC=mpicc LINK=mpicc CCFLAGS='-O2 -g' FFT_LIB=-lm

Ubuntu 14.04.1 LTS (Trusty Tahr)

  • Install libraries
sudo apt-get install git
sudo apt-get install g++
sudo apt-get install openmpi-bin
sudo apt-get install libopenmpi-dev
  • Install libjpeg from source
wget https://www.ijg.org/files/
tar zxvf jpegsrc.v9a.tar.gz
cd jpeg-9a
./configure --prefix=${HOME}/prefix-jpeg-9a
make install
cd ..
  • Clone the repository
git clone https://github.com/slitvinov/lammps-sph-multiphase.git lammps-sph
  • Build the package
cd lammps-sph/src
make yes-USER-SPH
make linux CC=mpic++ LINK=mpic++ CCFLAGS="-O2 -g -I${HOME}/prefix-jpeg-9a/include" FFT_LIB=-lm LINKFLAGS="-O -L${HOME}/prefix-jpeg-9a/lib" MPI_LIB=

CentOS Linux 6.5

  • Install libraries
sudo yum install git
sudo yum install mpich2-devel
sudo yum install gcc-c++
sudo yum install libjpeg-devel
  • Clone the repository
git clone https://github.com/slitvinov/lammps-sph-multiphase.git lammps-sph
  • Build the package
cd lammps-sph/src
make yes-USER-SPH
make linux CC=mpicc LINK=mpicc CCFLAGS='-O2 -g' FFT_LIB=-lm MPI_LIB=

Debian Wheezy 7.5 x64

  • Install libraries
sudo apt-get install mpich2
sudo apt-get install libjpeg8-dev
  • Clone the repository
git clone https://github.com/slitvinov/lammps-sph-multiphase.git lammps-sph
  • Build the package
cd lammps-sph/src
make yes-USER-SPH
make linux CC=mpicc LINK=mpicc CCFLAGS='-O2 -g' FFT_LIB=-lm MPI_LIB=

Installation using src/Make.py

cd    src
mkdir -p MAKE/MINE
python Make.py -o linux  -v -p user-sph  -cc mpi -fft none -jpg no -a file mpi

Implementation

We add the following extension to USER-SPH package:

atom_style meso/multiphase

This is data structures which provides

  • position
  • velocity
  • extrapolated velocity (vest)
  • forces
  • SPH density (rho)
  • time derivative of SPH density (drho)
  • internal energy per particle (e)
  • time derivative of internal energy per particle (de)
  • color gradient vector (colorgradient)
  • per-particle heat capacity (cv)

This data structure can be activated by

atom_style meso/multiphase

pair_sph_colorgradient

A pair_style to calculate a color gradient

pair_style         sph/colorgradient
pair_coeff         I J     ${h} ${alpha}

Here, I and J are the types of SPH particles for which a color gradient is calculated, alpha is a surface tension coefficient, h is a cutoff.

pair_sph_surfacetension

A pair_style to calculate surface tension

pair_coeff         I J     sph/surfacetension ${h}

Here, I and J are the types of SPH particles for which a surface tension is calculated, h is a cutoff. Note that surface tension coefficient is included into color gradient.

pair_sph_heatconduction_phasechange