Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198652007e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.222995535016707e-09 | PASS |
| Energy [step 2] | -1.058226791301455e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.907768579367257e-09 | PASS |
| Energy [step 3] | -1.058222764081161e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.740343311799734e-09 | PASS |
| Energy [step 4] | -1.058219875919436e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -5.365343724861305e-09 | PASS |
| Forces [step 1] | -2.249842030674364e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.723091998203870e-09 | PASS |
| Forces [step 2] | -2.378811113464210e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.538367224890763e-08 | PASS |
| Forces [step 3] | -2.490666464018734e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.742352896128008e-07 | PASS |
| Forces [step 4] | -2.574371676501102e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.386927284130479e-07 | PASS |