Match M-solvent int. energy @ t=0
Commits >
Commit a41c007d955b10e3b7368ff6ffc60ddf6399c944 >
Run foss-serial-min: [foss2023a-serial] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980686934e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)