Match M-solvent int. energy @ t=21*dt
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run intel-2022b_impi >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.508539158011170e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)