Match M-solvent int. energy @ t=5*dt
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-mpi-min: [foss2022a-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)