Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128268e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.149569576838985e-12 | PASS |
| Energy [step 20] | -3.184094654954739e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.604316927725449e-12 | PASS |
| Multipoles [step 0] | -1.206991465637561e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.529162588661146e-06 | PASS |
| Multipoles [step 20] | -2.020306558412923e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.624596152107529e-07 | PASS |