Match Kinetic energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-serial-debug: [foss2023a-serial] >
Input 31-acetylene_b3lyp.03-parstates.inp
Value | Reference | Precision | Status |
9.517200989999999e+00 | 9.517203609999999e+00 | 4.760000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Kinetic =', 3)