Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

New pair_style cosine/squared #1626

Merged
merged 14 commits into from Aug 20, 2019

Conversation

@erozic
Copy link
Collaborator

commented Aug 7, 2019

Summary

This pull request contains a new pair style called "cosine/squared". It is a pair style used in a popular coarse-grained membrane model (Cooke-Kremer-Deserno) which is generally a very useful nonspecific interaction potential that is in important points different than any currently implemented in LAMMPS (see documentation).

Author(s)

Eugen Rožić, UCL (eugen.rozic.17@ucl.ac.uk, erozic@zoho.eu)

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility

Yes

Implementation Notes

I tested and used it for my projects extensively.
Only a simple, basic version is implemented, none of the accelerated ones.
I've put it in USER-MISC because I thought this is appropriate.

Post Submission Checklist

  • The feature or features in this pull request is complete
  • Licensing information is complete
  • Corresponding author information is complete
  • The source code follows the LAMMPS formatting guidelines
  • Suitable new documentation files and/or updates to the existing docs are included
  • The added/updated documentation is integrated and tested with the documentation build system
  • The feature has been verified to work with the conventional build system
  • The feature has been verified to work with the CMake based build system
  • A package specific README file has been included or updated
  • One or more example input decks are included

Further Information, Files, and Links

http://doi.org/10.1103/PhysRevE.72.011506

@erozic erozic changed the title Feature pair cossq New pair_style cosine/squared Aug 7, 2019
akohlmey added 2 commits Aug 9, 2019
@erozic erozic requested a review from rbberger as a code owner Aug 9, 2019
akohlmey added 2 commits Aug 9, 2019
@akohlmey akohlmey requested a review from sjplimp Aug 9, 2019
@sjplimp

This comment has been minimized.

Copy link
Contributor

commented Aug 20, 2019

Thanks for contributing this new pair style.

@akohlmey akohlmey merged commit ffc023a into lammps:master Aug 20, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
3 participants
You can’t perform that action at this time.