Match M-solvent int. energy @ t=0
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787815797e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)