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

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128285e+02 -3.184216450128310e+02 1.570000000000000e-11 2.501110429875553e-12 PASS
Energy [step 20] -3.184094654954771e+02 -3.184094654954693e+02 5.150000000000000e-11 -7.787548383930698e-12 PASS
Multipoles [step 0] -1.207121840587064e-03 -1.211520628226222e-03 8.480000000000000e-06 4.398787639158181e-06 PASS
Multipoles [step 20] -2.020306615340684e+00 -2.020306920872538e+00 1.600000000000000e-06 3.055318540390317e-07 PASS
Compare to other inputs