Match Total energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
-3.245067411400000e+02 | -3.245067404600000e+02 | 3.870000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)