[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ESPResSo-users] Question about NEMD profile
From: |
Limbach,Hans Joerg,LAUSANNE,Food Materials |
Subject: |
Re: [ESPResSo-users] Question about NEMD profile |
Date: |
Thu, 19 Jul 2012 13:31:43 +0000 |
Hello Heng,
Please send the script and make sure the NEMD feature is compiled in.
Cheers,
Hanjo
-----Original Message-----
From: address@hidden [mailto:address@hidden On Behalf Of Heng ZHANG
Sent: mercredi 18 juillet 2012 15:28
To: address@hidden
Subject: [ESPResSo-users] Question about NEMD profile
Hello,
I am working on a system under shearing, using NEMD with fixed shear rate. Here
are two questions I am concerning:
1: Although I set the shear rate quite high, I still cannot see the system box
going through any deformation so far. Is it because of my codes? Which is
simple as written in the user guide: nemd shearrate $n_slabs $shearrate .
2: I am not able to extract the profile and viscosity after each simulation
run. I am using the codes also from the user guide: nemd profile, and nemd
viscosity.
Looking forward to your insights.
yours sincerely,
Heng