Input 16-bomd.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010825201319676e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217467016090268e-09 | PASS |
| Energy [step 3] | -1.058145774227699e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.508651064658807e-09 | PASS |
| Energy [step 4] | -1.058134610296341e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -4.590708257978804e-09 | PASS |
| Forces [step 1] | -1.538478572155791e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994458473901e-07 | PASS |
| Forces [step 2] | -1.732216535533807e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557442096075341e-08 | PASS |
| Forces [step 3] | -1.918267215952638e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.696626197895569e-07 | PASS |
| Forces [step 4] | -2.092290720126717e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.039697405946782e-08 | PASS |