This commit is contained in:
Axel Kohlmeyer
2023-08-28 13:12:01 -04:00
parent 64750c8a21
commit e2daed05ad

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@ -223,7 +223,7 @@ result. I.e. the last 2 columns of thermo output will be the same:
system pressure.
The compute stress/atom can be used in a number of ways. Here is an
example to compute a 1-d pressure profile in z-direction across the
example to compute a 1-d pressure profile in x-direction across the
complete simulation box. You will need to adjust the number of bins and the
selections for time averaging to your specific simulation. This assumes
that the dimensions of the simulation cell does not change.