LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] I have some question about whether I can specify the bonds number of an atom?
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] I have some question about whether I can specify the bonds number of an atom?


From: 王余 <u201315513@...5255...>
Date: Thu, 21 Dec 2017 17:41:36 +0800 (GMT+08:00)

Dear developer,


    Good afternoon ! I am a student of HUST , China , majoring in flow of nanoscale fluid . I have some problems when using lammps program  , and I have trouble dealing with it , I hope you can help me .

    A problem occur  when I use the read_data command multiply times with different data files to build a complex system . I divide the whole model into three parts , and each of them is written in a respective date file( nanotube.data water.data  methane.data ) , I need to read in one file once a time , and exert an operation on it . When I read methane.data after water.data ( as is showed in in.file ), I find the lammps program shows an error message reading "Subsequent read data induced too many bonds per atom" , however , when I read methane.data before water.data ( as is showed in in2.file ) , I find the program runs normally . It arises my question about whether I can specify the bonds number of an atom . Meanwhile , I want to know whether there are some mistakes in my script file .


    Think you for reading this envelope , and hoping for your reply!

Attachment: in.file
Description: Binary data

Attachment: in2.file
Description: Binary data

Attachment: methane.data
Description: Binary data

Attachment: nanotube.data
Description: Binary data

Attachment: water.data
Description: Binary data