Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128330e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954615e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 7.787548383930698e-12 | PASS |
| Multipoles [step 0] | -1.208831428464063e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 2.689199762158584e-06 | PASS |
| Multipoles [step 20] | -2.020307343060883e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -4.221883447286245e-07 | PASS |