Match Total energy
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 02-h2o_pol_lr.01_h2o_gs.inp
| Value | Reference | Precision | Status |
| -1.606669135000000e+01 | -1.606669135000000e+01 | 8.030000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)