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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_omp_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128337e+02 -3.184216450128310e+02 8.130000000000000e-12 -2.671640686457977e-12 PASS
Energy [step 20] -3.184094654954627e+02 -3.184094654954693e+02 3.380000000000000e-11 6.593836587853730e-12 PASS
Multipoles [step 0] -1.208811838704527e-03 -1.211520628226222e-03 9.480000000000001e-06 2.708789521695338e-06 PASS
Multipoles [step 20] -2.020307331422782e+00 -2.020306920872538e+00 1.600000000000000e-06 -4.105502435791664e-07 PASS
Compare to other inputs