Nickle Fan noticed a mistake in the fourier documentation. Nick
posted this at the end of a different thread and I was afraid it would
not get any attention there, so I'm reposting his suggestion as a new
topic.
A minor note is that the online documentation for Fourier style
dihedral "might" not be correct. Specifically, the example given at
http://lammps.sandia.gov/doc/dihedral_fourier.html
## COMMENT: Nick, I think you are right.
says:
dihedral_style fourier
dihedral_coeff 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0
The second line "probably" should be replaced by
dihedral_coeff 1 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0
where the added "1" indicates the dihedral type ID is "1".
--- end of Nick's message ---
Yes, this can not be correct
The "3" refers to the number of terms in the in Fourier series in this
example. There needs to be an additional integer (eg "1") before this
specifying the dihedral type.
Nick, thanks for clarifying this!
Andrew
