pair_style hybrid/overlay issue

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1

Dear Axel,
thanks a lot for your response,
I actually used HOMEBREW to install LAMMPS and the associated packages and it has been working fine for other systems ( without hybrid/overlay ).
So based on your feedback the issue could be from the substyles installation, so do to get over this issue ?

Hi all,
I have been working calcite/water system by using a published force field, I
am getting an error at some point shown below. I am pretty sure about my
executables and packages installed are fine. I am suspecting the issue is
with the pair_style hybrid/overlay because I have never used this style
before, and related more or less to the below part of the force field file.
Kindly check below the error and part of the force field…

please check whether your executable has all the various pair
substyles included.

the parser logic of the pair_style hybrid line is that all “words”,
that are not recognized as pair style, will be passed as arguments to
the pair style to the left. for example, if you don’t have lj/mdf
included in your executable, then the arguments to lj/cut will become
lj/cut 9.0 lj/mdf 6.0 9.0, which will lead to the “illegal pair_style
command” error message you are reporting.

axel.

2

Dear Axel,
thanks a lot for your response,
I actually used HOMEBREW to install LAMMPS and the associated packages and
it has been working fine for other systems ( without hybrid/overlay ).
So based on your feedback the issue could be from the substyles
installation, so do to get over this issue ?

first you should verify, whether you have all the styles you want to
use installed.

this can be done for example with:
- running your LAMMPS executable with the -help flag and checking the output
- starting LAMMPS interactively and typing the command 'info styles pair'
- verify whether each pair substyle can be used independently (a
sequence of multiple pair_style commands is sufficient)

if you are missing some, then you need to figure out how to make it,
so that LAMMPS will install them:
then you either follow the documentation to do a custom install, or
you need to contact the homebrew folks about how to tweak the settings
(please note, that homebrew support is a contributed feature and not
directly supported by the LAMMPS developers).

axel.