Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -3.184216450128331e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -2.103206497849897e-12 | PASS |
Energy [step 20] | -3.184094654954679e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.421085471520200e-12 | PASS |
Multipoles [step 0] | -1.207846735649595e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.673892576626587e-06 | PASS |
Multipoles [step 20] | -2.020306930362881e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -9.490343177986915e-09 | PASS |