Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128288e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.160049916710705e-12 | PASS |
| Energy [step 20] | -3.184094654954781e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.810729923425242e-12 | PASS |
| Multipoles [step 0] | -1.206882691308919e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.637936917302682e-06 | PASS |
| Multipoles [step 20] | -2.020306511110781e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.097617569698286e-07 | PASS |