Match Total energy
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run spack_foss-2022a_mpi_min >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -1.333925609000000e+01 | -1.333925462000000e+01 | 6.670000000000000e-08 | FAIL |
Command: GREPFIELD(static/info, 'Total =', 3)