Match Energy [step 1]
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 05-time_propagation.05-td_md.inp
Value | Reference | Precision | Status |
-3.791009280177394e+01 | -3.791009280177000e+01 | 1.900000000000000e-10 | PASS |
Command: LINEFIELD(td.general/energy, -11, 3)