Match eigenvalue [2]
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run intel-2022b_impi >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
-9.388555000000000e+00 | -9.388555000000000e+00 | 4.690000000000000e-05 | PASS |
Command: GREPFIELD(static/info, '2 --', 3)