Match Total energy
Commits >
Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac >
Run cmake_foss_2022a_full_mpi >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-1.333925467000000e+01 | -1.333925462000000e+01 | 6.670000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)