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brucefan
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1) One of the most popular MD codes LAMMPS is written in C/C++; 2) You can use C to write your own MD code, such as in the famous book "The art of molecular dynamics"; 3) I you do not intend to write your own code, you just need to study an MD code such as LAMMPS and know how to write some "small codes" for pre-processing (building models) and post-processing (analyzing the output data) using any programming language. |
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3Â¥2017-10-22 07:39:46









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