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

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

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128281e+02 -3.184216450128310e+02 1.570000000000000e-11 2.899014361901209e-12 PASS
Energy [step 20] -3.184094654954710e+02 -3.184094654954693e+02 5.150000000000000e-11 -1.705302565824240e-12 PASS
Multipoles [step 0] -1.207310384888138e-03 -1.211520628226222e-03 8.480000000000000e-06 4.210243338083558e-06 PASS
Multipoles [step 20] -2.020306697808647e+00 -2.020306920872538e+00 1.600000000000000e-06 2.230638909139770e-07 PASS
Compare to other inputs