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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_omp_autotools: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128280e+02 -3.184216450128310e+02 8.130000000000000e-12 3.012701199622825e-12 PASS
Energy [step 20] -3.184094654954766e+02 -3.184094654954693e+02 3.380000000000000e-11 -7.332801033044234e-12 PASS
Multipoles [step 0] -1.206905980078915e-03 -1.211520628226222e-03 9.480000000000001e-06 4.614648147306883e-06 PASS
Multipoles [step 20] -2.020306521049204e+00 -2.020306920872538e+00 1.600000000000000e-06 3.998233335522627e-07 PASS
Compare to other inputs