Atomistic analysis of nematic phase transition in 4-cyano-4'-n-alkyl biphenyl liquid crystals: Sampling for the first-order phase transition and the free-energy decomposition

This repository includes input files of LAMMPS in the article, "Free energy description of nematic phase transition in  4-cyano-4'-n-alkyl biphenyl (nCB) liquid crystals: Energy representation approach"

本仓库包含论文《4-氰基-4'-正烷基联苯(4-cyano-4'-n-alkyl biphenyl, nCB)液晶向列相相变的自由能描述：能量表征方法》中所使用的LAMMPS输入文件