Re: [lammps-users] Author of the VCSGC-LAMMPS package

Hi Xue

If you want to contact the VCSGCMC-LAMMPS authors, you can create an account at https://gitlab.com. Then log in to your account.
Then go to this web page:
https://gitlab.com/materials-modeling/vcsgc-lammps/-/issues
And click on the button to create a “new issue”.

This is how programmers usually report bugs in (someone else’s) software. If you need help setting up your simulation, the authors might not have time to advise you with that.

I have contacted one of the authors. He also wrote OVITO, and he replied because I reported a problem with OVITO. OVITO is a popular program, and he works on that program everyday. VCSGCMC-LAMMPS has not been updated in 5 months, so I don’t know if they will notice your post and reply. But you can try.

To maximize the chance of getting a reply, make your request short and as specific as possible.

But if you are having trouble with constructing the input files for LAMMPS (such as a LAMMPS DATA file), this has nothing to do with VCSGCMC-LAMMPS. So please make sure your problem is specific to VCSGCMC-LAMMPS before contacting those people.

LAMMPS DATA files are used for specifying the atomic coordinates, bond topology (probably not relevant for you), and (optionally) force field parameters, masses, and charges at the beginning of the simulation. If you need to create a simulation with a complex geometry, you will need to create a LAMMPS DATA file. If you are having trouble creating a LAMMPS DATA file, there are several programs to do that here. Many of those programs are designed to prepare simulations of molecules, which is more complicated than what you need. In this link, someone recommended using atomsk for preparing simulations of alloys. There is a turorial for atomsk here. But other programs will probably work also. But the file format for a DATA file is simple, so it might be easier to create your own DATA file without using one these programs.

I hope this helps.

Andrew

Thank you for your timely reply.From your reply.The question about myself has been found a solution.you stated that you had been in contact with the developer of the VCSGCMC-LAMMPS package.I do not know whether you have contacted him in your email or whether you are friends with the developer of this package.I had sent him many emails before and had not received any reply.Do you have a quick way to contact the developers of this package? For example: does he have his own QQ or Wechat.

I actually had a WeChat account for a little while, but I don’t think most people here do. Anyway, the Android WeChat client software no longer works here. (ItI think there was a political spat.)