Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128280e+02 -3.184216450128310e+02 8.130000000000000e-12 2.955857780762017e-12 PASS
Energy [step 20] -3.184094654954761e+02 -3.184094654954693e+02 3.380000000000000e-11 -6.821210263296962e-12 PASS
Multipoles [step 0] -1.206939584011177e-03 -1.211520628226222e-03 8.480000000000000e-06 4.581044215045066e-06 PASS
Multipoles [step 20] -2.020306535677626e+00 -2.020306920872538e+00 1.600000000000000e-06 3.851949119670905e-07 PASS
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