Input 10-bomd.02-td.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010805661394443e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217498990513377e-09 | PASS |
| Energy [step 3] | -1.058145774227812e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509755958612914e-09 | PASS |
| Energy [step 4] | -1.058134610395850e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.582503348477985e-09 | PASS |
| Forces [step 1] | -1.538478572155718e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994407681197e-07 | PASS |
| Forces [step 2] | -1.732216535538546e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557398070181300e-08 | PASS |
| Forces [step 3] | -1.918267217379046e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697702415899172e-07 | PASS |
| Forces [step 4] | -2.092292171997943e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.343513706952848e-07 | PASS |