Laptop restarted when open an XYZ file and set the box parameters & Feature Request
Created by: sailangyf
Hello Dr. Sébastien Le Roux,
I met with a problem when I opened an xyz file and set the box size and boundary condition. I don't know why my laptop directly crushed and was restarted automatically. I don't know if it's my laptop's problem or Atomes' problem, actually I never met with this problem. I tried 3 times, but failed every time. Here is some information in case you need to test it: Atomes version: 1.1.14 Windows System Version: Windows 11 23H2 22631.3447 My laptop is Lenovo XiaoXinPro 14 APH8, the cpu is AMD Ryzen 7 7840HS with Radeon 780M Graphics. The attachment is the XYZ file for your test.
By the way, I wonder if you have the plan to add the feature of supporting lammps dump format file input? The request originated from two reasons:
- LAMMPS is quite popular recently.
- Yes I can dump xyz format file use dump_modify in LAMMPS, but I found that there are some restrictions for XYZ file. For instance, in my system, I have type1: Fe3+, type2: Fe2+, type3: P, type4: O, this can be specifically defined in LAMMPS and output in LAMMPS dump file. However, for XYZ file, the valence of element can not be defined, which means Fe3+ and Fe2+ are exactly the same. There is no doubt we will lose some information. That's why it came across in my mind if you will add features in Atomes to support read LAMMPS dump file.
Thanks a lot.
Best regards, Fan