Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128359e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | -4.945377440890297e-12 | PASS |
| Energy [step 20] | -3.184094654954632e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 6.082245818106458e-12 | PASS |
| Multipoles [step 0] | -1.208820818915102e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 2.699809311120177e-06 | PASS |
| Multipoles [step 20] | -2.020307335502633e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -4.146300947027726e-07 | PASS |