Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128275e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.467448550509289e-12 | PASS |
| Energy [step 20] | -3.184094654954769e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.560174708487466e-12 | PASS |
| Multipoles [step 0] | -1.206919155080505e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.601473145717178e-06 | PASS |
| Multipoles [step 20] | -2.020306526735558e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.941369799420613e-07 | PASS |