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Increase diamondC_2x1x1-Gaussian_pp localecp tol #5330

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merged 3 commits into from
Feb 20, 2025
Merged

Increase diamondC_2x1x1-Gaussian_pp localecp tol #5330

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42b607f
Increase diamondC_2x1x1-Gaussian_pp localecp tol
prckent Feb 20, 2025
dd7302a
Merge branch 'develop' into diamondCtol
ye-luo Feb 20, 2025
47f5282
Merge branch 'develop' into diamondCtol
ye-luo Feb 20, 2025
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2 changes: 1 addition & 1 deletion tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "totenergy" "-21.341584
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "kinetic" "19.99861447 0.207280984944")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "potential" "-41.34019869 0.234973849712")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "eeenergy" "-4.48998595 0.1")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "localecp" "-13.06854246 0.15")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "localecp" "-13.06854246 0.2")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "nonlocalecp" "2.05740964 0.077946495184")
list(APPEND diamondC_2x1x1-Gaussian_pp_MSD_SHORT_SCALARS "ionion" "-25.55132719 0.000003")
qmc_run_and_check(
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