Hi, I have the same question as ehsan : https://lammps.sandia.gov/threads/msg76968.html.
I want to use the rebomos pair_style to simulate atomic interactions of MoS2 on LAMMPS.
I have downloaded and extracted the ZIP file available here (https://research.matse.psu.edu/sinnott/software), moved pair_rebomos.cpp and pair_rebomos .h to src folder of lammps.
Then I have also moved the last file MoS.REBO.set5b to the folder of my input file.
Then I have re-compiled lammps in ubuntu terminal :
make serial; make mpi
I have no any errors of compiling, the file rebomos.o is well created.
Then I have runned lammps in the terminal: lmp_serial -in test.in
And it shows the following error message :
LAMMPS (7 Aug 2019)
Lattice spacing in x,y,z = 3.17 12.288 5.4906
ERROR: Unrecognized pair style 'rebomos' (../force.cpp:262)
Last command: pair_style rebomos pair_coeff * * MoS.REBO.set5b M S
Do you have solution/explanation/advice to fix that ?
Below, my input file :
# ------------------------ INITIALIZATION ----------------------------
units real
dimension 3
boundary p p p
atom_style full
#processors p p p
# ----------------------- ATOM DEFINITION ----------------------------
lattice custom 1.0 &
a1 3.17 0.0 0.0 &
a2 0.0 5.490601 0.0 &
a3 0.0 0.0 12.288 &
basis 0.00000 0.00000 0.25000 &
basis 0.50000 0.50000 0.25000 &
basis 0.50000 0.16670 0.75000 &
basis 0.50000 0.66670 0.75000 &
basis 0.00000 0.00000 0.62750 &
basis 0.50000 0.50000 0.62750 &
basis 0.50000 0.16670 0.37250 &
basis 0.00000 0.66670 0.37250 &
basis 0.50000 0.16670 0.12750 &
basis 0.00000 0.66670 0.12750 &
basis 0.00000 0.00000 0.87250 &
basis 0.00000 0.50000 0.87250 &
origin 0.0 0.5 0.0 orient x 1 0 0 orient y 0 0 -1 orient z 0 1 0 &
pair_style rebomos &
pair_coeff * * MoS.REBO.set5b M S &
pair_rebomos.o (327 KB)
test.in (959 Bytes)