Match External energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2023a_mpi_opt >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -5.378242358000000e+01 | -5.378242078000000e+01 | 3.030000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'External =', 3)