Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128288e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.216893335571513e-12 | PASS |
| Energy [step 20] | -3.184094654954719e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -2.557953848736361e-12 | PASS |
| Multipoles [step 0] | -1.207278351682550e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.242276543671647e-06 | PASS |
| Multipoles [step 20] | -2.020306683963840e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.369086979925328e-07 | PASS |