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Add poisson-boltzmann to the SCRF #450

Merged
merged 31 commits into from
Feb 14, 2024

all tests passing and PB_solver is correct

1238bd9
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Merged

Add poisson-boltzmann to the SCRF #450

all tests passing and PB_solver is correct
1238bd9
Select commit
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Failed to load commit list.
Codecov / codecov/project succeeded Feb 13, 2024 in 0s

70.54% (+0.22%) compared to b94438c

View this Pull Request on Codecov

70.54% (+0.22%) compared to b94438c

Details

Codecov Report

Attention: 10 lines in your changes are missing coverage. Please review.

Comparison is base (b94438c) 70.31% compared to head (1238bd9) 70.54%.

Files Patch % Lines
src/driver.cpp 73.07% 7 Missing ⚠️
src/environment/Cavity.h 0.00% 2 Missing ⚠️
src/qmoperators/two_electron/ReactionPotential.h 50.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #450      +/-   ##
==========================================
+ Coverage   70.31%   70.54%   +0.22%     
==========================================
  Files         190      195       +5     
  Lines       15308    15446     +138     
==========================================
+ Hits        10764    10896     +132     
- Misses       4544     4550       +6     

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