Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128292e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.762145984685048e-12 | PASS |
| Energy [step 20] | -3.184094654954764e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.105427357601002e-12 | PASS |
| Multipoles [step 0] | -1.206878621452856e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.642006773365953e-06 | PASS |
| Multipoles [step 20] | -2.020306509202189e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.116703484768891e-07 | PASS |