You might be able to list the same bond twice in the data file and
give it different types. The bond_style hybrid command can assign
different styles (FENE, harmonic) to different types. I've never
tried that; seems like kind of a wacky thing to do.
Thank you. I followed you suggestion It gives me a correct force in a
simple test. But I've commented a sanity check in special.cpp. I am
not sure if it does not break something.
I am attaching a patch, configuration and input files (4 beads
polymer) for the test case and a maxima file I used to calculate
Or you can use bond_style table to specify a single bond which you
tabulate in a file to be whatever you like, e.g. a sum of FENE +
I will keep this option in mind. But currently I do not see how to fit
the model I am implementing into tabulated potential.
0001-Commented-sanity-check-for-bonds.patch (809 Bytes)
in.polymer (643 Bytes)
polymer.in (329 Bytes)
polymer.max (261 Bytes)