Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 16cdfcecc1be9b3eac0dbe4ff8b1dc79e6b9a001 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128268e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 4.149569576838985e-12 | PASS |
| Energy [step 20] | -3.184094654954779e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -8.583356247982010e-12 | PASS |
| Multipoles [step 0] | -1.206883755822299e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.636872403922460e-06 | PASS |
| Multipoles [step 20] | -2.020306511409670e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.094628680562096e-07 | PASS |