Match Kinetic energy
Commits >
Commit 23d5ddb085c569d9609ce2385772116d59d2e94d >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.517203719999999e+00 | 9.517203609999999e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)