Match Total energy
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2022a_cuda_serial >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
-3.026901548400000e+02 | -3.026901574400000e+02 | 3.690000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)