Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128316e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -6.252776074688882e-13 | PASS |
| Energy [step 20] | -3.184094654954795e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.023181539494544e-11 | PASS |
| Multipoles [step 0] | -1.206853419529599e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.667208696622566e-06 | PASS |
| Multipoles [step 20] | -2.020306498441325e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.224312126765994e-07 | PASS |