Add files via upload #679
Merged
Add files via upload #679
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
I have added a Tersoff potential function for SiGe in the /potentials/tersoff directory of GPUMD. This potential function originates from the literature “Modeling solid-state chemistry: Interatomic potentials for multicomponent systems”. To verify the accuracy of this potential function, I conducted comparative simulations of energy and force in GPUMD and LAMMPS respectively. The results show that the simulation results of the two are consistent, indicating that the potential function I submitted is consistent with the original LAMMPS potential function.
