Closed JensWehner closed 3 years ago
@votca-bot changelog: use middleRows/Cols and refactor numerical integration
Merging #732 (090c9a7) into master (9cfeb74) will decrease coverage by
0.0%
. The diff coverage is91.5%
.
@@ 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%) |
:arrow_down: |
...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 |
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@votca-bot format
@votca-bot format
This PR does two things:
a) use
middleCols
middleRows
instead ofblock
b) Refactor the Handling of AOValues evaluated at gridPoints to be more functional