Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128268e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.149569576838985e-12 | PASS |
| Energy [step 20] | -3.184094654954824e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.313082975684665e-11 | PASS |
| Multipoles [step 0] | -1.206837531604554e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.683096621667599e-06 | PASS |
| Multipoles [step 20] | -2.020306491278510e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.295940279064325e-07 | PASS |