Match M-solvent int. energy @ t=5*dt
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_intel-2023a_impi >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787112782e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | PASS |
Command: GREPFIELD(td.general/energy, ' 5', 12)