Dear LAMMPS developers,
I’d like to perform simulations in which I combine both the coul/long potential and a table I provide, via the hybrid/overlay pair style.
As I wanted to reduce the outer cut-off of the table with respect to the coul/long pair style (I’d like to set the table cutoff at 1.5 and the coul/long at 10.0), I was following this thread
http://lammps.sandia.gov/threads/msg04156.html
where a small modification of the source code is suggested. However, it doesn’t seem to be working as I get the same error I would get without modifying the code (ERROR: Coulomb cutoffs of pair hybrid sub-styles do not match (../pair_hybrid.cpp:1002)).
Is there another way to get around this problem?
Thank you.
Best,
Fabrizio
Dear LAMMPS developers,
I’d like to perform simulations in which I combine both the coul/long
potential and a table I provide, via the hybrid/overlay pair style.
As I wanted to reduce the outer cut-off of the table with respect to the
coul/long pair style (I’d like to set the table cutoff at 1.5 and the
coul/long at 10.0), I was following this thread
http://lammps.sandia.gov/threads/msg04156.html
where a small modification of the source code is suggested.
this is for a problem unrelated to yours and for a 10 year old version of
LAMMPS. this specific issue has since been addressed in the source code.
However, it doesn’t seem to be working as I get the same error I would get
without modifying the code (ERROR: Coulomb cutoffs of pair hybrid
sub-styles do not match (../pair_hybrid.cpp:1002)).
Is there another way to get around this problem?
please provide important information about your setup:
- LAMMPS version and platform, that you are running on
- pair_style and pair_coeff commands and other related settings, or - even
better yet - a minimal input example demonstrating your issue
it is difficult to discuss such issue "in the blind".
axel.