/lmp_str.jl

molecule builder for LAMMPS in Julia

Primary LanguageJuliaMIT LicenseMIT

lmp_str.jl

molecule builder for LAMMPS in Julia, see documentation here.

Documentation Licence
Documentation Status MIT Licence

Requirements

The current version of lmp_str.jl requires Julia 1.0 or higher.

Quick start

(a) Install with Julia Pkg

The package can be installed with the Julia package manager. From the Julia REPL, type ] to enter the Pkg REPL mode and run:

julia> ]
(@v1.x) pkg> add https://github.com/zhenyuwei99/lmp_str.jl.git

This method is convenient, while the path of lmp_str may take some time to found. Usually it will be $HOME/.julia/packages/lmp_str/{version code}. Meanwhile, files in this path are read-only.

More about Pkg: Julia Pkg Manual, 中文文档

(b) Install from source code

  • Download the source code with git clone, not Zips!

    cd {target_path}
git clone https://github.com/zhenyuwei99/lmp_str.git lmp_str

  • Add package in julia

    julia> ]
(@v1.x) pkg> add "{target_path}/lmp_str"

This method require one more steps but more flexible.