Match M-solvent int. energy @ t=0
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.215406787815773e+00 | -3.215406787815846e+00 | 2.120000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)