Match M-solvent int. energy @ t=0
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a_impi >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501578001371687e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)