Match Total energy
Commits >
Commit 2a1dc13191de3f3d16ec7491927e39f112456880 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 01-hydrogen.01-ground_state.inp
Value | Reference | Precision | Status |
-6.697860300000000e-01 | -6.697860300000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)