Match Hartree energy
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run cmake_foss_2022a_full_serial >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.067930460000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)