Input 16-sparskit.02-kick.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 5] -1.042952412811271e+01 -1.042952412811269e+01 1.040000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 10] -1.042951822881428e+01 -1.042951822881430e+01 1.040000000000000e-13 1.776356839400250e-14 PASS
Energy [step 15] -1.042951650355474e+01 -1.042951650355473e+01 1.040000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.042951654541481e+01 -1.042951654541481e+01 1.040000000000000e-13 -1.776356839400250e-15 PASS
Dipole [step 1] -3.910066714851723e-15 -4.333620525691201e-16 7.190000000000000e-15 -3.476704662282603e-15 PASS
Dipole [step 5] -7.295369601119561e-01 -7.295369601119552e-01 7.300000000000000e-15 -8.881784197001252e-16 PASS
Dipole [step 10] -1.339262937921847e+00 -1.339262937921843e+00 1.340000000000000e-14 -4.218847493575595e-15 PASS
Dipole [step 15] -1.833828192687671e+00 -1.833828192687674e+00 1.830000000000000e-14 2.886579864025407e-15 PASS
Dipole [step 20] -2.215299399796875e+00 -2.215299399796875e+00 2.220000000000000e-14 4.440892098500626e-16 PASS
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