Input 16-bomd.02-td.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010828754033355e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217465239733428e-09 | PASS |
| Energy [step 3] | -1.058145773725889e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509452201593376e-09 | PASS |
| Energy [step 4] | -1.058134609279442e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578275619200213e-09 | PASS |
| Forces [step 1] | -1.538476408166912e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994420448762e-07 | PASS |
| Forces [step 2] | -1.732218447021957e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557439409335622e-08 | PASS |
| Forces [step 3] | -1.918261822013451e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697312988519940e-07 | PASS |
| Forces [step 4] | -2.092289486116839e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.337979618765139e-07 | PASS |