Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128273e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.694822225952521e-12 | PASS |
| Energy [step 20] | -3.184094654954768e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.446487870765850e-12 | PASS |
| Multipoles [step 0] | -1.206889360076263e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.631268149958784e-06 | PASS |
| Multipoles [step 20] | -2.020306513886207e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.069863308586719e-07 | PASS |