Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128284e+02 -3.184216450128310e+02 6.500000000000000e-12 2.557953848736361e-12 PASS
Energy [step 20] -3.184094654954762e+02 -3.184094654954693e+02 1.330000000000000e-11 -6.878053682157770e-12 PASS
Multipoles [step 0] -1.206896779538252e-03 -1.211520628226222e-03 9.480000000000001e-06 4.623848687969551e-06 PASS
Multipoles [step 20] -2.020306517057481e+00 -2.020306920872538e+00 6.190000000000000e-07 4.038150573926202e-07 PASS
Compare to other inputs