Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128270e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 4.035882739117369e-12 | PASS |
| Energy [step 20] | -3.184094654954783e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.038103598868474e-12 | PASS |
| Multipoles [step 0] | -1.206801071895885e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.719556330336433e-06 | PASS |
| Multipoles [step 20] | -2.020306475638561e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.452339772420544e-07 | PASS |