Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954647e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 4.604316927725449e-12 | PASS |
| Multipoles [step 0] | -1.208076231168143e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 3.444397058079357e-06 | PASS |
| Multipoles [step 20] | -2.020307029128663e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -1.082561249532432e-07 | PASS |