Match M-solvent int. energy @ t=5*dt
Commits >
Commit 23d5ddb085c569d9609ce2385772116d59d2e94d >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980698849e+00 | -3.215406787112854e+00 | 1.000000000000000e+00 | PASS |
Command: GREPFIELD(td.general/energy, ' 5', 12)