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

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772399e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.752553988713771e-11 PASS
Energy [step 20] -3.184088237669063e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.503775461576879e-11 PASS
Multipoles [step 0] -1.206995732502006e-03 -1.211520628226222e-03 5.140000000000000e-06 4.524895724216044e-06 PASS
Multipoles [step 20] -2.020313237887222e+00 -2.020315146839614e+00 5.140000000000000e-06 1.908952392160046e-06 PASS
Compare to other inputs