Input 10-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010819872249158e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217491885086019e-09 | PASS |
| Energy [step 3] | -1.058145774227820e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509835894670687e-09 | PASS |
| Energy [step 4] | -1.058134610393478e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.558781879244634e-09 | PASS |
| Forces [step 1] | -1.538478572155715e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994404905640e-07 | PASS |
| Forces [step 2] | -1.732216535538829e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557395244663702e-08 | PASS |
| Forces [step 3] | -1.918267217491234e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697814603935811e-07 | PASS |
| Forces [step 4] | -2.092292138754828e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.310270591747820e-07 | PASS |