Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128267e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.320099833421409e-12 | PASS |
| Energy [step 20] | -3.184094654954728e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.524291969370097e-12 | PASS |
| Multipoles [step 0] | -1.206997561512393e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.523066713828456e-06 | PASS |
| Multipoles [step 20] | -2.020306560927717e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.599448210600542e-07 | PASS |