Dear Sir,
I would like to know if I want to use the pair_style born_coul_long from the KSPACE, how can I write it in a the program? What I mean is that, I do not have the Born-Meyer-Huggins potential in my “Potentials” folder. So I want to retrieve it from KSPACE package. The part of the program that I am trying to write is as follows.
pair_style born/coul/long 10
pair_coeff * * /home/software/lammps-27Mar10/src/KSPACE/pair_born_coul_long.cpp
pair_coeff * * 6.08 0.317 2.340 24.18 11.51
my error is as follows
pair_style born/coul/long 10
pair_coeff * * /home/software/lammps-27Mar10/src/KSPACE/pair_born_coul_long.cpp
ERROR: Incorrect args for pair coefficients
I am not sure what is the difference between “.cpp” and “.h” file either. Because there are two files for this potential in KSPACE package.
In addition, if I want to have this potential in my “potentials” folder, how can I do it
Thank you.
Yours sincerely,
Devinda
Dear Sir,
I would like to know if I want to use the pair_style born_coul_long from the KSPACE, how can I write it in a the program?
follow the lammps installation instructions and find somebody
(locally) that does have experience in compiling software, so
that this person can explain things to you.
What I mean is that, I do not have the Born-Meyer-Huggins potential in my “Potentials” folder. So I want to retrieve it from KSPACE package. The part of the program that I am trying to write is as follows.
pair_style born/coul/long 10
pair_coeff * * /home/software/lammps-27Mar10/src/KSPACE/pair_born_coul_long.cpp
pair_coeff * * 6.08 0.317 2.340 24.18 11.51
my error is as follows
pair_style born/coul/long 10
pair_coeff * * /home/software/lammps-27Mar10/src/KSPACE/pair_born_coul_long.cpp
ERROR: Incorrect args for pair coefficients
yes. because this is complete nonsense.
I am not sure what is the difference between “.cpp” and “.h” file either. Because there are two files for this potential in KSPACE package.
if you don’t know that, you first need to learn a little bit
about compiling source code and reading documentation.
this is not the forum for it. find somebody local. you have
a lot to learn.
In addition, if I want to have this potential in my “potentials” folder, how can I do it
no. you don’t want it and this is not how you use this.
you must not guess how a software works, or disaster
will follow.
axel.
The born/coul/long pair potential is called with the parameters given in the input script or data file, just like the lj/cut/coul/long pair style. Check the manual for born/coul/long for examples on how to call it.
So nothing goes in your potentials directory!
—AEI