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

Commits > Commit efc44ae2259e56922145db535c825ce53e4127cb > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128300e+02 -3.184216450128310e+02 1.570000000000000e-11 9.663381206337363e-13 PASS
Energy [step 20] -3.184094654954719e+02 -3.184094654954693e+02 5.150000000000000e-11 -2.557953848736361e-12 PASS
Multipoles [step 0] -1.207382375053356e-03 -1.211520628226222e-03 8.480000000000000e-06 4.138253172865586e-06 PASS
Multipoles [step 20] -2.020306729317612e+00 -2.020306920872538e+00 1.600000000000000e-06 1.915549256992222e-07 PASS
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