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Re: [lammps-users] User Created Potentials
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Re: [lammps-users] User Created Potentials


From: Stefan Paquay <stefanpaquay@...24...>
Date: Thu, 12 Oct 2017 16:00:46 -0400

Danke schön!

On Oct 12, 2017 3:33 PM, "Axel Kohlmeyer" <akohlmey@...24...> wrote:


On Thu, Oct 12, 2017 at 3:02 PM, Stefan Paquay <stefanpaquay@...24...> wrote:
I forgot and cannot check right now, does a USER-* require an Install script to do anything when "make yes-user-*" is executed? If yes, maybe that's missing?

​if there is no Install.sh file, LAMMPS will use a default one. a custom one is only needed, if there are dependencies, i.e. a file can only be installed if some other file from a different package is also installed.

axel.​

 

As a workaround just copy your source files to the "src" dir and recompile, like Axel suggests. 

On Oct 12, 2017 2:36 PM, "Axel Kohlmeyer" <akohlmey@...24...> wrote:


On Thu, Oct 12, 2017 at 2:06 PM, Carter Rhea <crhea@...7157...> wrote:
Hello all,
 I created a potential that calculates the capillary and viscous forces due to an underlying fluid. I added the following line to my header:
PairStyle(bat/soulie,PairSoulie)


However when I call pair_style bat/soulie   .... in my in.myfile file, i get the following error:

​ERROR: Unknown pair style bat/soulie (../force.cpp:246)
Last command: pair_style      bat/soulie 1.0 1.0 1.0 1.0 testSC.txt testVisc.txt​


​I was sure to run the following command before making the mpi version of lammps:
make yes-USER-BAT

Note: USER-BAT is where I keep the files.

Any suggestions?​


​are the files for your pair style in the src folder?
do you see your custom pair style when you run: ​lmp_mpi -h
​you need to make certain, that you are correctly calling the new executable.

axel.

 

--
Thank you,
 Carter Rhea
College of Charleston

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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...655....net
https://lists.sourceforge.net/lists/listinfo/lammps-users




--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.