Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128319e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -9.094947017729282e-13 | PASS |
| Energy [step 20] | -3.184094654954774e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.128608897095546e-12 | PASS |
| Multipoles [step 0] | -1.206915724589766e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.604903636455876e-06 | PASS |
| Multipoles [step 20] | -2.020306525248674e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.956238634472697e-07 | PASS |