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

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run foss_cmake: [foss2022a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128337e+02 -3.184216450128310e+02 1.570000000000000e-11 -2.671640686457977e-12 PASS
Energy [step 20] -3.184094654954605e+02 -3.184094654954693e+02 5.150000000000000e-11 8.810729923425242e-12 PASS
Multipoles [step 0] -1.208835305738704e-03 -1.211520628226222e-03 8.480000000000000e-06 2.685322487518344e-06 PASS
Multipoles [step 20] -2.020307345165826e+00 -2.020306920872538e+00 1.600000000000000e-06 -4.242932880593742e-07 PASS
Compare to other inputs