Match Total energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 02-h2o_pol_lr.01_h2o_gs.inp
Value | Reference | Precision | Status |
-1.606631740000000e+01 | -1.606631740000000e+01 | 8.030000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)