Input 16-bomd.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2023a-mpi, foss-full-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] | -1.058158908201928e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217449252521874e-09 | PASS |
| Energy [step 3] | -1.058145773725897e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509366936465085e-09 | PASS |
| Energy [step 4] | -1.058134609279468e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578016271101660e-09 | PASS |
| Forces [step 1] | -1.538476408166999e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994333296254e-07 | PASS |
| Forces [step 2] | -1.732218447022127e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557441105201292e-08 | PASS |
| Forces [step 3] | -1.918261821751034e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697575406107600e-07 | PASS |
| Forces [step 4] | -2.092289485075370e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | 1.447971796075809e-07 | PASS |