Input 16-sparskit.02-kick.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 5] -1.042952412811270e+01 -1.042952412811269e+01 1.040000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 10] -1.042951822881428e+01 -1.042951822881430e+01 1.040000000000000e-13 2.131628207280301e-14 PASS
Energy [step 15] -1.042951650355473e+01 -1.042951650355473e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.042951654541482e+01 -1.042951654541481e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Dipole [step 1] 1.727784582072900e-15 -4.333620525691201e-16 7.190000000000000e-15 2.161146634642020e-15 PASS
Dipole [step 5] -7.295369601119506e-01 -7.295369601119552e-01 7.300000000000000e-15 4.662936703425657e-15 PASS
Dipole [step 10] -1.339262937921843e+00 -1.339262937921843e+00 1.340000000000000e-14 4.440892098500626e-16 PASS
Dipole [step 15] -1.833828192687667e+00 -1.833828192687674e+00 1.830000000000000e-14 6.883382752675971e-15 PASS
Dipole [step 20] -2.215299399796872e+00 -2.215299399796875e+00 2.220000000000000e-14 2.664535259100376e-15 PASS
Compare to other inputs