Match Energy [step 10]
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 05-time_propagation.05-td_md.inp
Value | Reference | Precision | Status |
-3.791001520298094e+01 | -3.791001520298000e+01 | 1.900000000000000e-10 | PASS |
Command: LINEFIELD(td.general/energy, -1, 3)