Input 10-bomd.03-td_restart.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717865e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.881570951440153e-09 | PASS |
| Energy [step 2] | -1.058226791345527e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.348486263936138e-09 | PASS |
| Energy [step 3] | -1.058222764033977e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.268496749977203e-09 | PASS |
| Energy [step 4] | -1.058219875783962e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.010598075865346e-09 | PASS |
| Forces [step 1] | -2.249842024220610e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036846736246488e-08 | PASS |
| Forces [step 2] | -2.378810644749384e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.222551548329953e-07 | PASS |
| Forces [step 3] | -2.490664456023956e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.750347673803223e-07 | PASS |
| Forces [step 4] | -2.574370915664247e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.147764139315278e-07 | PASS |