Match M-solvent int. energy @ t=5*dt
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run spack_foss-2023a_serial_opt >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787112951e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | PASS |
Command: GREPFIELD(td.general/energy, ' 5', 12)