Redefined functions relating to collective diffusion coefficient and reduced ionic condictivity. #3
Open
kitmccoll wants to merge 2 commits intobjmorgan:masterfrom
Open
Redefined functions relating to collective diffusion coefficient and reduced ionic condictivity. #3kitmccoll wants to merge 2 commits intobjmorgan:masterfrom
kitmccoll wants to merge 2 commits intobjmorgan:masterfrom
Conversation
Left the notebook the same, since it will now be correct with the way the functions are defined.
Owner
|
Fixed error in docstrings, updated example jupyter notebook and defined a reduced_ionic_conductivity function.
bjmorgan
requested changes
Jul 8, 2020
| def collective_diffusion_coefficient( self ): | ||
| """ | ||
| Returns the reduced ionic conductivity, \u03C3\' ( D_J * n_natoms). | ||
| Returns the collective or "jump" diffusion coefficient multiplied by the number of atoms, |
Owner
There was a problem hiding this comment.
This is potentially misleading. This method returns the collective diffusion coefficient, which is equal to the "jump" diffusion coefficient multiplied by the number of atoms, D_J * N.
Comment on lines
+283
to
+284
| (Float): the collective or "jump" diffusion coefficient multiplied by the number of | ||
| atoms, ( D_J * number_of_atoms). |
| def collective_diffusion_coefficient( self ): | ||
| def collective_diffusion_coefficient_per_atom( self ): | ||
| """ | ||
| Returns the collective or "jump" diffusion coefficient, D_J. |
Owner
There was a problem hiding this comment.
This is incorrect. Returns the collective diffusion coefficient per atom, which is equal to the "jump" diffusion coefficient.
| @@ -298,7 +300,25 @@ def collective_diffusion_coefficient( self ): | |||
| (Float): The collective diffusion coefficient, D_J. | |||
Owner
There was a problem hiding this comment.
Inconsistent. The collective diffusion coefficient is D_J * N_atoms.
This file contains hidden or 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
2 participants
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.
Left the notebook the same, since it will now be correct with the way the functions are defined.