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[lammps-users] Some questions ?
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[lammps-users] Some questions ?

From: "A. M.M" <alaa.murar@...24...>
Date: Sun, 13 Aug 2017 23:33:56 +0300

بسم الله الرحمن الرحيم

I have some question which are:

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

2. 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 ?

3. If I build LAMMPS with all packages except GPU And KOKKOS and get the executable file, can I run it in other computer without install any packages or library that are needed when I build the LAMMPS ? and does this correct with GPU and KOKKOS packages ?


Alaa Murrar