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[求助] C语言 分子动力学 已有1人参与

请教大神,C语言在分子动力学方面可以做哪些工作?具体一点,谢谢!

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brucefan

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【答案】应助回帖

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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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2楼2017-10-22 03:51:31
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2楼: Originally posted by brucefan at 2017-10-22 03:51:31
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 ...

多谢

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3楼2017-10-22 07:39:46
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