Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128302e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 7.958078640513122e-13 | PASS |
| Energy [step 20] | -3.184094654954754e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.082245818106458e-12 | PASS |
| Multipoles [step 0] | -1.207058074960007e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.462553266214525e-06 | PASS |
| Multipoles [step 20] | -2.020306587403983e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.334685545475224e-07 | PASS |