Problem when building LAMMPS with USER-3SPN (external package)

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1

بسم الله الرحمن الرحيم

Thanks for your replay.

I have another question which is:

Are REAX and REAXC packages do the same work ? which are better ?

I compiled LAMMPS using REAXC and REAX with MSCG, but there is a problem that there is a variable defined as a double in REAXC and as a float in MSCG ( the same variable ) and this issue terminated the compilation process, I solved it by change float to double, did this affect the results of these packages ?

Thanks

Alaa Murrar

2

Generally, use reax/c instead of reax.

I think the compile error with both reax/c and mscg has been

fixed in the most current patch release by Axel.

Steve