Match M-solvent int. energy @ t=0
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787815773e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)