Input 16-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 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010832306747034e-09 | PASS |
| Energy [step 2] | -1.058158908445418e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217454581592392e-09 | PASS |
| Energy [step 3] | -1.058145774227813e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509786156679183e-09 | PASS |
| Energy [step 4] | -1.058134610395546e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.582762696576538e-09 | PASS |
| Forces [step 1] | -1.538478572155723e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994390472740e-07 | PASS |
| Forces [step 2] | -1.732216535538509e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557395075354691e-08 | PASS |
| Forces [step 3] | -1.918267217391603e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698065163231345e-07 | PASS |
| Forces [step 4] | -2.092292167285799e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.343189341418416e-07 | PASS |