Pair_style gauss

Hi guys,

I need to have two pair_style ("pair_style lj/cut/coul/long" and "pair_style gauss") in my script representing two different potentials.
It works properly with one pair style "pair_style lj/cut/coul/long" but as I added "pair_style gauss" , the following error appeared "KSpace style is incompatible with Pair style" . BTW I am using version 30Oct10 of Lammps.

Looking forward to hearing any help.

Best,
Shahzad

Hi guys,

I need to have two pair_style ("pair_style lj/cut/coul/long" and
"pair_style gauss") in my script representing two different potentials.
It works properly with one pair style "pair_style lj/cut/coul/long"
but as I added "pair_style gauss" , the following error appeared "KSpace
style is incompatible with Pair style" . BTW I am using version 30Oct10 of
Lammps.

Looking forward to hearing any help.

try the current version of lammps.

axel.

I tried the new version. The problem still exists. “ERROR: KSpace style is incompatible with Pair style”

I attached the input file and script. Please let me know if you have any other suggestion.

Shahzad

tsimp.txt (6.35 KB)

in.simple (2.26 KB)

kspace_style ewald or pppm is incompatible with pair_style gauss.
Once pair_style gauss is used after pair_style coul/long, it simply
overwrites the pair_style coul/long and kspace_style becomes
incompatible. Try with pair_style hybrid.

Cheers,
Ray