Match External energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run spack_foss-2022a_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-5.378242050000000e+01 | -5.378242078000000e+01 | 3.030000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'External =', 3)