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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_min_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128287e+02 -3.184216450128310e+02 8.130000000000000e-12 2.330580173293129e-12 PASS
Energy [step 20] -3.184094654954703e+02 -3.184094654954693e+02 3.380000000000000e-11 -9.663381206337363e-13 PASS
Multipoles [step 0] -1.207369550066020e-03 -1.211520628226222e-03 8.480000000000000e-06 4.151078160201599e-06 PASS
Multipoles [step 20] -2.020306723575932e+00 -2.020306920872538e+00 1.600000000000000e-06 1.972966061636328e-07 PASS
Compare to other inputs