Match Total energy
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_foss-2022a_cuda_serial >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-1.016391275000000e+01 | -1.016393580000000e+01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)