1.ERROR: Unrecognized pair style 'reaxff' is part of the REAXFF package which is not enabled in this LAMMPS binary. (../force.cpp:279) ERROR: Unrecognized pair style 'reaxff' is part of the REAXFF package which is not enabled in this LAMMPS binary. (../force.cpp:279) 这是由于未...
力场没有匹配好，原子的质量没有识别出来
请问ERROR on proc 0: Invalid value in set command 怎么理解呢 只看楼主 收藏 回复 runner 中级粉丝 2 登录百度账号 下次自动登录 忘记密码? 扫二维码下载贴吧客户端 下载贴吧APP看高清直播、视频! 贴吧页面意见反馈 违规贴吧举报反馈通道 贴吧违规信息处理公示...
ERROR: No MEAM parameter file in pair coefficients (../pair_meamc.cpp:243) When a pair_coeff command using a potential file is specified, LAMMPS looks for the potential file in 2 places. First it looks in the location specified. E.g. if the file is specified as “niu3.eam”, it is...
Invalid run command N value The number of timesteps must fit in a 32-bit integer. If you ...
avoid issues with write_dump re-using and existing dump ID when a previous command crashed improve error handling when parsing the MEAM user parameter file: catch value tokenizer exceptions record line numbers and report filename and line number with the error ...
command.h compute.cpp compute.h compute_aggregate_atom.cpp compute_aggregate_atom.h compute_angle.cpp compute_angle.h compute_angle_local.cpp compute_angle_local.h compute_angmom_chunk.cpp compute_angmom_chunk.h compute_bond.cpp compute_bond.h compute_bond_local.cpp compute_bond_local.h comp...
报错invalid ..报错invalid mass value我的体系是只有CHO的多个有机大分子,用msi2lmps转化导出data文件之后出现了十几种原子,一看发现除了CHO的其他那些奇奇怪怪的原子质量都是零,不知道是
原因是每一次步长下需要计算的原子超出了容量,可能是skin小了,步长大了,模型原子太密集了,或者温度压力控制方式damp过小。每个情况都不一样,可以尝试改变盒子大小,减小步长,检查力场参数,调整neighbor command等等。 13. ERROR on proc 0: Not a valid integer number: !Nr ...
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