Input 10-bomd.02-td.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010809214108122e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217500766870216e-09 | PASS |
| Energy [step 3] | -1.058145774227854e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.510180507897530e-09 | PASS |
| Energy [step 4] | -1.058134610394323e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.567224903302304e-09 | PASS |
| Forces [step 1] | -1.538478572155726e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994416285426e-07 | PASS |
| Forces [step 2] | -1.732216535540025e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557383276459497e-08 | PASS |
| Forces [step 3] | -1.918267217959438e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.698282808022423e-07 | PASS |
| Forces [step 4] | -2.092292149893643e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.321409407450957e-07 | PASS |