Match Total energy
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-mpi-debug: [foss2023a-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)