Input 16-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010826977676516e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217467016090268e-09 | PASS |
| Energy [step 3] | -1.058145774227813e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509787933036023e-09 | PASS |
| Energy [step 4] | -1.058134610396007e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.587368789861102e-09 | PASS |
| Forces [step 1] | -1.538478572155717e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994385199181e-07 | PASS |
| Forces [step 2] | -1.732216535538468e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557395483361653e-08 | PASS |
| Forces [step 3] | -1.918267217372968e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698046527582765e-07 | PASS |
| Forces [step 4] | -2.092292174585112e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.350488653961701e-07 | PASS |