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src/Particle/LongRange/tests
tests/solids/diamondC_1x1x1_pp Expand file tree Collapse file tree 2 files changed +3
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lines changed Original file line number Diff line number Diff line change @@ -61,7 +61,8 @@ TEST_CASE("StructFact", "[lrhandler]")
6161
6262 for (int i = 0 ; i < ref.groups (); i++)
6363 {
64- std::complex <QMCTraits::RealType> rhok_sum, rhok_even_sum;
64+ std::complex <QMCTraits::FullPrecRealType> rhok_sum;
65+ std::complex <QMCTraits::FullPrecRealType> rhok_even_sum;
6566 for (int ik = 0 ; ik < simulation_cell.getKLists ().getNumK (); ik++)
6667 rhok_sum += std::complex <QMCTraits::RealType>(sk.rhok_r [i][ik], sk.rhok_i [i][ik]);
6768
Original file line number Diff line number Diff line change @@ -1502,7 +1502,7 @@ if(QMC_MIXED_PRECISION)
15021502 list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "ionion" "-12.77566507 0.000001" )
15031503 list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "localecp" "-15.41387689 0.00001471" )
15041504 list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "nonlocalecp" "6.10588419 0.00001448" )
1505- list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "mpc" "-2.61905471 0.00000179" )
1505+ list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "mpc" "-2.61905731 0.00000179" )
15061506 list (APPEND DET_DIAMOND_DMC_MULTI2_SCALARS "samples" "9 0.0" )
15071507 # DMC cycle 3
15081508 list (APPEND DET_DIAMOND_DMC_MULTI3_SCALARS "totenergy" "-8.93222965 0.00001861" )
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