Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Update pressure tests and fix sqrt grid error in Numerov #187

Merged
merged 3 commits into from
Jul 14, 2023

Conversation

timcallow
Copy link
Contributor

@timcallow timcallow commented Jul 13, 2023

Due to a mix up this PR actually fixes two separate issues:

  • Pressure tests include potential for virial method
  • For final grid point propagation, fixed for sqrt grid

@codecov
Copy link

codecov bot commented Jul 13, 2023

Codecov Report

Merging #187 (8901717) into develop (2de4ecd) will decrease coverage by 5.59%.
The diff coverage is 66.66%.

@@             Coverage Diff             @@
##           develop     #187      +/-   ##
===========================================
- Coverage    97.24%   91.66%   -5.59%     
===========================================
  Files           14       14              
  Lines         2362     2364       +2     
===========================================
- Hits          2297     2167     -130     
- Misses          65      197     +132     
Impacted Files Coverage Δ
atoMEC/numerov.py 87.27% <66.66%> (-8.15%) ⬇️

... and 5 files with indirect coverage changes

@timcallow timcallow changed the title Update pressure tests to reflect new way virial method is called Update pressure tests and fix sqrt grid error in Numerov Jul 14, 2023
@timcallow timcallow merged commit cd5cdce into atomec-project:develop Jul 14, 2023
@timcallow timcallow deleted the fix_numerov_sqrt_err branch July 14, 2023 09:07
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant