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Lammps VORONOI Package安装

2023-04-29 18:11:28

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Download Voro++

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cd ~lammps/lib/voronoi/
wget https://math.lbl.gov/voro++/download/dir/voro++-0.4.6.tar.gz

Compile Voro++

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tar -zxvf voro++-0.4.6.tar.gz
cd voro++-0.4.6/
make
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cd .. # cd to /lib/voronoi
ln -s voro++-0.4.6/src includelink
ln -s voro++-0.4.6/src liblink

Installing VORONOI package

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cd lammps/src
make yes-voronoi
make mpi -j8

Usage

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compute 6 all voronoi/atom neighbors yes
dump d2 all local 1 dump.neighbors index c_6[1] c_6[2] c_6[3]

References