Closed stigrj closed 3 years ago
Merging #380 (d571e11) into master (90d12c9) will decrease coverage by
1.00%
. The diff coverage is50.00%
.
@@ Coverage Diff @@
## master #380 +/- ##
==========================================
- Coverage 69.95% 68.95% -1.01%
==========================================
Files 177 177
Lines 14110 14111 +1
==========================================
- Hits 9871 9730 -141
- Misses 4239 4381 +142
Impacted Files | Coverage Δ | |
---|---|---|
src/driver.cpp | 70.01% <50.00%> (-0.11%) |
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...c/qmoperators/two_electron/ExchangePotentialD1.cpp | 16.92% <0.00%> (-48.43%) |
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src/utils/Bank.cpp | 19.40% <0.00%> (-17.92%) |
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src/qmoperators/two_electron/ExchangePotential.h | 33.33% <0.00%> (-16.67%) |
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src/qmoperators/two_electron/ExchangeOperator.h | 93.75% <0.00%> (-6.25%) |
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src/qmoperators/two_electron/ExchangePotential.cpp | 90.27% <0.00%> (-5.56%) |
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I will investigate the problem
The open-shell exchange error #377 is located in
ExchangePotentialD1::setupInternal
, so we circumvent the problem by avoidingK.setPreCompute()