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return 5382 fix
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-2
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2 files changed

+3
-2
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src/Particle/LongRange/tests/test_StructFact.cpp

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -61,7 +61,8 @@ TEST_CASE("StructFact", "[lrhandler]")
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for (int i = 0; i < ref.groups(); i++)
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{
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std::complex<QMCTraits::RealType> rhok_sum, rhok_even_sum;
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std::complex<QMCTraits::FullPrecRealType> rhok_sum;
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std::complex<QMCTraits::FullPrecRealType> rhok_even_sum;
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for (int ik = 0; ik < simulation_cell.getKLists().getNumK(); ik++)
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rhok_sum += std::complex<QMCTraits::RealType>(sk.rhok_r[i][ik], sk.rhok_i[i][ik]);
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tests/solids/diamondC_1x1x1_pp/CMakeLists.txt

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1502,7 +1502,7 @@ if(QMC_MIXED_PRECISION)
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "ionion" "-12.77566507 0.000001")
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "localecp" "-15.41387689 0.00001471")
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "nonlocalecp" "6.10588419 0.00001448")
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "mpc" "-2.61905471 0.00000179")
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "mpc" "-2.61905731 0.00000179")
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list(APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "samples" "9 0.0")
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# DMC cycle 3
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list(APPEND DET_DIAMOND_DMC_MULTI3_SCALARS "totenergy" "-8.93222965 0.00001861")

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