Implementation of polar SAFT-VR Mie #302
Merged
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
|
Nice!, some things to do before merging:
@pw0908 any comments? |
|
@longemen3000 One thing @sonjaamsmith pointed out is that we use the Hudson-McCoubrey combining rule instead of the sqrt version in SAFT-VR Mie. Do you remember why we did this? I seem to recall we had a conversation about this a long time ago but can't remember why we didn't change it. |
|
Found the relevant issue; it's an outstanding mistake. We switched it for SAFT-gamma Mie but not VR Mie |
|
I removed those unused files and added a test. |
longemen3000
approved these changes
Oct 16, 2024
pw0908
added a commit
that referenced
this pull request
Oct 16, 2024
|
Was about to commit the fix to SAFT-VR mie but it's now been added to master |
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Outdated suggestions cannot be applied.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.
Addition of the Gross and Vrabec dipole (2006), quadrupole (2005), and dipole-quadrupole (2008) terms to the SAFT-VR Mie framework as implemented by Cripwell et al. (2018) and Smith et al. (2020).