Match Kinetic energy
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run spack_foss-2022a_cuda_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.517203540000001e+00 | 9.517203609999999e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)