Hi, Thanks for the question. I think the code only records the second
compute command and ignores the first. To get both, you can try to
calculate them in different runs. Yes, this part has not been well
designed. Need more effort to improve it.
"소순성" <soonsung2001@xxxxxxxxxx> 于 2020年11月18日周三 04:12写道：
Thank you for GPUMD development and I have a question today.
When I apply the 'compute' command such as
compute 0 100 1000 temperature
compute 1 100 1000 force
with different grouping method in xyz.in
(in xyz.in file, I set the grouping method 0 for x-direction having
n-groups and grouping method 1 for y-direction having m-groups)
In this case,I expected to have the compute.out file with n-column of
temperature information and m-column of force information
but unfortunately, I found that the compute.out file I got consists of
m-column of temperature information and m-column of force information
as if it followed the rule for 'compute 1 100 1000 force' command on
Is it just error?
How can I get the temperature information from grouping method 0 and force
information from grouping method simultaneously?