Match M-solvent int. energy @ t=0
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980686571e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)