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[lammps-users] Setting per-atom masses with fix property/atom rmass
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[lammps-users] Setting per-atom masses with fix property/atom rmass


From: Joshua Moore <jdmoore@...1442...>
Date: Tue, 27 Jun 2017 21:16:26 -0400

Hello,

When using fix/property rmass to set a per-atom mass, do the per-type masses still need to be initialized first?

For example, from the the manual, with (using  full atom_style)

fix Isotopes all property/atom rmass ghost yes
read_data tip4p-isotopes.data fix Isotopes NULL Isotopes

I get "ERROR: Not all per-type masses are set" unless I also set the per-type masses before using fix property/atom rmass.

Thank you.

Josh