Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.875832822406664e-12 | PASS |
| Energy [step 20] | -3.184094654954774e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -8.128608897095546e-12 | PASS |
| Multipoles [step 0] | -1.206921099777811e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.599528448411211e-06 | PASS |
| Multipoles [step 20] | -2.020306527636659e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.932358785263546e-07 | PASS |