Cc:
Hi all,
I have specific regions in my system (all atoms are Silver) which I want to observe for total energy changes. I also want to track the trajectory of the atoms in each layer. Can somebody tell me how I can color code these regions seperately? I have two regions and I want the atoms in these two regions to be colored seperately. How do I go about this?
Thank you!
Regards,
Tushar
From: "Tushar Vijay" <[email protected]...>
Date: Sep 2, 2015 18:05
Subject: How to color specific regions of the same atom type
To: <[email protected]>
Cc:
Hi all,
I have specific regions in my system (all atoms are Silver) which I want
to observe for total energy changes. I also want to track the trajectory of
the atoms in each layer. Can somebody tell me how I can color code these
regions seperately? I have two regions and I want the atoms in these two
regions to be colored seperately. How do I go about this?
define an atom style variable with an expression that makes use of the
gmask(), rmask() or grmask() function to compute a different value
depending on being part of a group, a region or both.
please see the documentation for the dump image command as well as the
variable command for details.
axel.