Input 10-bomd.03-td_restart.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198734477e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -8.047686961276668e-09 | PASS |
| Energy [step 2] | -1.058226791361944e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.512655386676670e-09 | PASS |
| Energy [step 3] | -1.058222764063480e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.563531857433190e-09 | PASS |
| Energy [step 4] | -1.058219875842615e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.597131564310075e-09 | PASS |
| Forces [step 1] | -2.249842022585537e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.053197470901601e-08 | PASS |
| Forces [step 2] | -2.378810628875189e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.238425742788873e-07 | PASS |
| Forces [step 3] | -2.490662477356196e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 5.729015434552398e-07 | PASS |
| Forces [step 4] | -2.574367040762018e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 6.022666367844209e-07 | PASS |