Skip to content
This repository has been archived by the owner on Sep 28, 2021. It is now read-only.

using eigen middleCol and middleRow functions #732

Merged
merged 6 commits into from
Aug 18, 2021
Merged

Conversation

JensWehner
Copy link
Member

This PR does two things:

a) use middleCols middleRows instead of block
b) Refactor the Handling of AOValues evaluated at gridPoints to be more functional

@JensWehner
Copy link
Member Author

@votca-bot changelog: use middleRows/Cols and refactor numerical integration

@codecov
Copy link

codecov bot commented Aug 4, 2021

Codecov Report

Merging #732 (090c9a7) into master (9cfeb74) will decrease coverage by 0.0%.
The diff coverage is 91.5%.

Impacted file tree graph

@@           Coverage Diff            @@
##           master    #732     +/-   ##
========================================
- Coverage    51.7%   51.6%   -0.1%     
========================================
  Files         291     291             
  Lines       27050   27031     -19     
========================================
- Hits        13988   13971     -17     
+ Misses      13062   13060      -2     
Impacted Files Coverage Δ
include/votca/xtp/gridbox.h 96.1% <ø> (ø)
src/libxtp/dftengine/dftengine.cc 71.3% <0.0%> (ø)
src/libxtp/gwbse/bse_operator.cc 100.0% <ø> (ø)
src/libxtp/gwbse/gwbse.cc 0.0% <0.0%> (ø)
src/libxtp/gwbse/rpa.cc 94.0% <ø> (-0.1%) ⬇️
...xtp/numerical_integration/amplitude_integration.cc 90.9% <ø> (ø)
...ibxtp/numerical_integration/density_integration.cc 72.4% <ø> (ø)
src/libxtp/numerical_integration/vxc_potential.cc 75.9% <ø> (ø)
src/libxtp/self_energy_evaluators/sigma_exact.h 100.0% <ø> (ø)
src/libxtp/self_energy_evaluators/sigma_exact.cc 78.4% <83.3%> (ø)
... and 10 more

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 9cfeb74...090c9a7. Read the comment docs.

@JensWehner
Copy link
Member Author

@votca-bot format

@JensWehner JensWehner enabled auto-merge August 5, 2021 06:45
@JensWehner
Copy link
Member Author

@votca-bot format

Copy link
Collaborator

@rubengerritsen rubengerritsen left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Nice, increases the readability a lot

@JensWehner JensWehner merged commit 853ee09 into master Aug 18, 2021
@JensWehner JensWehner deleted the eigen_middle branch August 18, 2021 07:04
votca-bot added a commit to votca/votca that referenced this pull request Aug 18, 2021
Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

3 participants