Match Total energy
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2023a_mpi_opt >
Input 06-h2o_pol_lr.01_gs.inp
Value | Reference | Precision | Status |
-1.720893825000000e+01 | -1.720893825000000e+01 | 8.600000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)