Conversation
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## master #251 +/- ##
=======================================
Coverage 84.00% 84.01%
=======================================
Files 47 47
Lines 6633 6637 +4
Branches 768 768
=======================================
+ Hits 5572 5576 +4
Misses 865 865
Partials 196 196
Flags with carried forward coverage won't be shown. Click here to find out more.
🚀 New features to boost your workflow:
|
Contributor
|
Thanks for the PR and sorry for the delay in review. I will get to it next week, but on a quick skim this looks great! |
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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Setting the
temp0keyword within theinput.infile is now mandatory, unless the initial velocities are provided either from an external file or by restarting the calculation. In other cases, the user gets an error.As such, I also had to change the test files so that they contain the
temp0keyword.In addition, I have created a new test in the
INITdirectory to test forgetting of thetemp0keyword ininput.inwhen initial velocities are not provided.