Dihedral_style hybrid class2 multi/harmonic

LAMMPS LAMMPS General Discussion
1

Version: 23Jun22
I found that the dihedral coeffs is not written out by the write_data command,
when I use “dihedral_style hybrid class2 multi/harmonic”.

The documentation of “write_data” command says to report this, so I do here.
I have not checked if this also happens in versions after 23Jun22.
I already know that this problem can be avoided by explicitly redefining the dihedral_coeff in the input file when restarting the calculation from the data file.

Example are uploaded.

Regard

temp.data (2.3 MB)
temp.in (30.7 KB)

2

… and the documentation of dihedral style hybrid says that it does not write out coefficients.
The same is true for any hybrid style.

3

Sorry, I read that it is not included in the binary RESTART file
from the documentation of dihedral hybird.
I understood that it is not written to the text DATA file either.