Refactor non-bonded interaction types #4214
KaiSzuttor
started this conversation in
Ideas
Replies: 1 comment
-
|
I think it's a good idea and would conclude the non-bonded part of the refactoring plan proposed in #3037. However, I do not immediately see the benefit of using a templated struct, since we currently only need doubles in the core, and the Cython interface makes it tricky to work with templated types. |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Uh oh!
There was an error while loading. Please reload this page.
-
The parameters and force and energy calculations of the non-bonded interactions are currently split
and could be combined in a new type. E.g. the LJ interaction could have the following layout:
Beta Was this translation helpful? Give feedback.
All reactions