How to make it faster to convert format with ASE?

ASE
1

I found that when I use ASE in a Python script to convert 5000 LAMMPS dumps trajectory (each contains 20000 frames) takes me more than 1hr. What I want is just merge them into a single file. Is there anything I can do to speed it up? Or is there better libs for such tasks?

2

Hi @link89,

are you using Linux or a shell environment?

Because this is what the cat command was made for. The LAMMPS dump format is rather straight forward and I see no reason this would not be sufficient to concatenate all files into one.

3

That’s a good trick, thank you.