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Increase test tolerances

This commit is contained in:
Paul Kent 2022-10-05 11:18:47 -04:00
parent d56142cdf4
commit 0efd5e8a80
3 changed files with 4 additions and 4 deletions
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2
tests/solids/NiO_a4_e48_pp/CMakeLists.txt
View File

@ -275,7 +275,7 @@ else()
if (QMC_CUDA)
if (QMC_MIXED_PRECISION)
if (QMC_COMPLEX)
list(APPEND DET_NIO_A4_E48_SCALARS "totenergy" "-368.01387642 0.01")
list(APPEND DET_NIO_A4_E48_SCALARS "totenergy" "-368.01387642 0.02")
list(APPEND DET_NIO_A4_E48_SCALARS "kinetic" "227.02819132 0.04")
list(APPEND DET_NIO_A4_E48_SCALARS "potential" "-595.04206774 0.04")
list(APPEND DET_NIO_A4_E48_SCALARS "eeenergy" "81.17849017 0.02")

2
tests/solids/diamondC_1x1x1_pp/CMakeLists.txt
View File

@ -1836,7 +1836,7 @@ else()
list(APPEND DET_DIAMOND_EXCITED_SCALARS "potential" "-18.63774243 0.000003")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "eeenergy" "-3.34229714 0.000001")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "ionion" "-12.77566736 0.000001")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "localecp" "-3.05848951 0.00000228")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "localecp" "-3.05848951 0.000004")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "nonlocalecp" "0.53871159 0.00000166")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "mpc" "-3.08131288 0.0000011")
list(APPEND DET_DIAMOND_EXCITED_SCALARS "samples" "9 0.0")

4
tests/solids/diamondC_2x1x1_pp/CMakeLists.txt
View File

@ -1601,7 +1601,7 @@ else()
list(APPEND DET_DIAMOND2_EXCITED_SCALARS "localecp" "-11.23303633 0.00005")
list(APPEND DET_DIAMOND2_EXCITED_SCALARS "nonlocalecp" "-0.47885103 0.00001")
list(APPEND DET_DIAMOND2_EXCITED_SCALARS "samples" "9.00000000 0.0")
list(APPEND DET_DIAMOND2_EXCITED_SCALARS "flux" "126.44713222 0.0001")
list(APPEND DET_DIAMOND2_EXCITED_SCALARS "flux" "126.44713222 0.0003")
endif()
else()
if(QMC_COMPLEX)
@ -1756,7 +1756,7 @@ else()
if(QMC_MIXED_PRECISION)
if(QMC_COMPLEX)
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "totenergy" "-21.85134461 0.00001")
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "kinetic" "24.58786766 0.000008")
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "kinetic" "24.58786766 0.00001")
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "potential" "-46.43921227 0.00001")
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "eeenergy" "-0.12546506 0.000001")
list(APPEND DET_DIAMOND2_DMC_EXCITED_SCALARS "ionion" "-25.55132693 0.000001")