adjust drip potential example for new requirements for pair style rebo. recreate log files

# DATE: 2019-04-19 CONTRIBUTOR: Mingjian Wen, wenxx151@umn.edu

#

# Parameters of the Dihedral-angle-corrected registry-dependent interlayer (DRIP)

# potential for multilayer graphene structures.

#

# Cite as M. Wen, S. Carr, S. Fang, E. Kaxiras, and E. B. Tadmor, Phys. Rev. B, 98, 235404 (2018).

#        C0           C2          C4          C         delta     lambda     A        z0       B         eta  rho_cut r_cut normal_cut

C  C  1.1598e-02  1.2981e-02  3.2515e-02  7.8151e-03  8.3679e-01  2.7158  2.2216e-02  3.34  7.6799e-03  1.1432  1.562  12.0  3.7

# C0, C2, C4, C, A, and B in [eV]

# delta, z0, eta, rho_cut, r_cut, and normal_cut in [Angstrom]

# lambda in [1/Angstrom]

#

# "normal_cut" is a parameter not present in the Wen paper, but specific to the

# LAMMPS implementation, which is used to find the 3 nearest neighbors of an

# atom to construct the normal.

../../../../potentials/C.drip

 No newline at end of file

../../../../potentials/CH.rebo

 No newline at end of file

# potential

pair_style hybrid/overlay drip rebo

pair_coeff * * drip  C.drip     C NULL  # only applies to species 1, i.e. C

pair_coeff * * rebo  CH.airebo  C H     # species 1 is C and species 2 is H

pair_coeff * * rebo  CH.rebo  C H     # species 1 is C and species 2 is H

compute        peratom all pe/atom