[lammps-users] REAXC allocated space for bonds

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1

Dear all,

We experienced some difficulties with the new C implementation of reaxFF. After several time steps, the program stops with the following message : "P15: not enought space for bonds! total=71871 allocated=71724"

How could we increase the allocated space for bonds ?

Thanks for your help,

Olivier

2

I suggest you send an email to the REAXC author,
whose email is listed in src/USER-REAXC/README.

If that doesn't go anywhere than contact Aidan, our
local ReaxFF expert, whose email is also in that file.

Steve