iRASPA Community

RASPA => Input files and parameters => Topic started by: nithin1532 on May 24, 2019, 05:54:33 AM

Title: steele wall potential for wall-fluid interaction.
Post by: nithin1532 on May 24, 2019, 05:54:33 AM
Hello all,

How do I add new potential.

I actually want to add steele wall potential for the graphite wall for respective wall-fluid interaction.

Is there any way of adding this potential.

Thanks in advance
Title: Re: steele wall potential for wall-fluid interaction.
Post by: David Dubbeldam on July 06, 2019, 03:09:22 PM
Look at the file 'potentials.c' and 'potentials.h".
Grep one of the potentials, for example: grep ZERO_POTENTIAL potentials.*
to study that to add your potential.