Match Kinetic energy
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run spack_foss-2022a_serial_min >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.516823710000001e+00 | 9.516823850000000e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)