Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128318e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -8.526512829121202e-13 | PASS |
| Energy [step 20] | -3.184094654954766e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.332801033044234e-12 | PASS |
| Multipoles [step 0] | -1.206891389558096e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.629238668126196e-06 | PASS |
| Multipoles [step 20] | -2.020306514725161e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.061473770633484e-07 | PASS |