Match Eigenvalue [1up]
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run cmake_foss_2022a_full_serial >
Input 28-carbon_big_box.01-ground_state.inp
| Value | Reference | Precision | Status |
| -4.545948000000000e+00 | -4.545943000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, '1 up', 3)