pair style table, coul/long and morse

Dear Friends

I used pair_style table with ewald or pppm (kspace_style)

I will be very happy if you help me. In my simualtion I used kspace_style and pair_style table but I recieve the following error. Would you please help me to remove the error?

Error:coulomb cuoffs of pair hybrid sub-styles do not match

I attached for you my input file, data file and table.

Thanks alot for your time and attention.

Best Regards

Saly

data (97.9 KB)

in (2.26 KB)

Table.table (69.9 KB)

Dear Saly:

You were helped with a very similar question on this topic—one with the EXACT SAME ERROR—by me and several others, just a few days ago.

Have you learned anything from that experience that might help you here?

Have you tried playing with your input files to see where the error is?

Or are you just using us as a replacement for your own scientific abilities?

The point of a mailing list is to provide help when you have exhausted all of your own internal resources in trying to resolve a problem. It’s also a resource to ask if people are working on or are aware of specific capabilities in a code, or the best way to implement new code.

The point of a mailing list is NOT to do your work for you, or to pester it with the same question over and over again.

Dear all,

As a matter of fact I tried to look quickly at the input file and the
error still seems to appear with this striped down input file:

Dear all,

As a matter of fact I tried to look quickly at the input file and the
error still seems to appear with this striped down input file:

--
units real
atom_style full
pair_style hybrid/overlay coul/long 10 table linear 2800
kspace_style pppm 1e-4

read_data data

mass 1 28.0855
mass 2 15.9994

pair_coeff * * table Table.table keyword
pair_coeff * * coul/long

minimize 1.0e-4 1.0e-8 1000 10000
--

PPPM initialization ...
ERROR: Coulomb cutoffs of pair hybrid sub-styles do not match

This is not clear to me why this happens...

i remember it being discussed on the list a few times:

since table can contain _anything_ it is treated as a coulomb
pair style so the table cutoff matters.

check out the extract method in pair_table.cpp

axel.

Dear Prof. Axel

Would you please mark the lines should be changed or noticed for Error about coloumb cuttoff?

Thanks

Regards

Saly

Dear Prof. Axel

Would you please mark the lines should be changed or noticed for Error about
coloumb cuttoff?

what is going to be next? "please write my paper for me!"???

if you cannot extract any useful information from this
discussion, you should not try to do research.

if you want me to do _your_ job, you have to pay me for my time.

axel.