|From:||"Smith, Micholas D." <smithmd@...79...>|
|Date:||Wed, 14 Jun 2017 14:38:14 +0000|
The ffield.reax file does include the C, H, O & N atoms necessary for the simulation (in the proper order to match the composition in the benchmark). I just find it odd that one of the benchmarks listed on the lammps webpage doesn't run
From: Axel Kohlmeyer <akohlmey@...24...>
Sent: Wednesday, June 14, 2017 10:27 AM
To: Smith, Micholas D.
Cc: LAMMPS Users Mailing List
Subject: Re: [lammps-users] Fw: Reax/c benchmark on KNL fails with error: Non-Existent ReaxFF type
On Jun 14, 2017 10:12 AM, "Smith, Micholas D." <smithmd@...79...> wrote:
Please double check your reaxff force field file. It should match your system composition.