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Re: [lammps-users] LAMMPS library: Gather specific atoms and insert small molecules
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Re: [lammps-users] LAMMPS library: Gather specific atoms and insert small molecules


From: Stephan Grein <stephan.grein@...5733...>
Date: Sat, 16 Sep 2017 00:24:47 +0200

Is there a way to get the first extra atom type ID?
(Or: Get the numbers of used atom type IDs?)

Then I could specify pair coeffs etc. for the
newly added atom types.

Best regards,
Stephan

Am 15/09/17 um 20:56 schrieb Axel Kohlmeyer:
> ​the read_data command takes options like: ​extra/atom/types 
> where you can reserve space for these atom types.


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