Input 10-bomd.02-td.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010819872249158e-09 | PASS |
| Energy [step 2] | -1.058158908445422e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217514977724932e-09 | PASS |
| Energy [step 3] | -1.058145774227850e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.510134322619706e-09 | PASS |
| Energy [step 4] | -1.058134610391785e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.541846093137792e-09 | PASS |
| Forces [step 1] | -1.538478572155798e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994488449922e-07 | PASS |
| Forces [step 2] | -1.732216535540079e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557382743552445e-08 | PASS |
| Forces [step 3] | -1.918267217840951e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.698164320857899e-07 | PASS |
| Forces [step 4] | -2.092292108683803e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.280199567466056e-07 | PASS |