Input 10-bomd.02-td.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010816319535479e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217497214156538e-09 | PASS |
| Energy [step 3] | -1.058145774227811e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509754182256074e-09 | PASS |
| Energy [step 4] | -1.058134610396421e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.588207230289299e-09 | PASS |
| Forces [step 1] | -1.538478572155705e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994394636077e-07 | PASS |
| Forces [step 2] | -1.732216535538430e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557399233139918e-08 | PASS |
| Forces [step 3] | -1.918267217356213e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697679583330004e-07 | PASS |
| Forces [step 4] | -2.092292180487870e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.352003634047527e-07 | PASS |