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

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128318e+02 -3.184216450128310e+02 1.570000000000000e-11 -8.526512829121202e-13 PASS
Energy [step 20] -3.184094654954549e+02 -3.184094654954693e+02 5.150000000000000e-11 1.438138497178443e-11 PASS
Multipoles [step 0] -1.208663349546196e-03 -1.211520628226222e-03 8.480000000000000e-06 2.857278680025660e-06 PASS
Multipoles [step 20] -2.020307278201782e+00 -2.020306920872538e+00 1.600000000000000e-06 -3.573292444158938e-07 PASS
Compare to other inputs