Match Total energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_cuda_serial >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -1.333925371000000e+01 | -1.333925462000000e+01 | 6.670000000000000e-08 | FAIL |
Command: GREPFIELD(static/info, 'Total =', 3)