dump each virial component

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1

I have permanent bond, angle potential, and DPD, SRP potential in my system. Is there a way to dump the virial contribution from each of these potentials, like pxx_bond, pxx_angle, pxx_DPD, pxx_SRP?

Thanks.

2

I have permanent bond, angle potential, and DPD, SRP potential in my system. Is there a way to dump the virial contribution from each of these potentials, like pxx_bond, pxx_angle, pxx_DPD, pxx_SRP?

Thanks.

3

The compute pressure command has options for which components to include.
If you specify it multiple times you can get the bond, angle, pair terms separately.
There is no way to access the sub-styles of pair hybrid.
However, you can write a 2nd script which uses the rerun command on dump
file snapshots from your 1st run. In that you can list a single pair style,
then get the virial from just that sub-style for each snapshot.

Steve

4

Got it, thanks. You are genius.

5

Got it, thanks. You are genius.