The compilation issue of LAMMPS after modifying the pair_sw.cpp file; the relaxation issue of the graphene force field.

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许旭辉

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Jan 4, 2025, 9:39:10 PMJan 4
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Dear Developer,

Thank you very much for your contribution. I would like to ask the following questions:

  1. For graphene systems, do I still need to modify the pair_sw.cpp file and recompile LAMMPS?
  2. I replaced the pair_sw.cpp file you provided in both lammps-2Jun2022 and lammps-29Aug2024, but I encountered the issue shown in the attached image. How can this be resolved?(without modifying pair_sw.cpp)
  3. Why did I not observe lattice reconstruction in the small-angle (1.68 degree)twisted graphene system? Is there something wrong with my input file.
Best regards,
Neil 


pos_crys_mod
basis_pos_crys
CH.rebo
log.lammps
CC.KC
basis_pos_crys_l2
lammps.dat
lammps.dat_min
lammps29Aug24.slurm
lammps.in
twist.inp
Mass_FF

Neil Xu

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Jan 4, 2025, 9:44:28 PMJan 4
to Twister Help
Here are the compiling errors.
微信图片_20250105104331.png
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