Match Total energy
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-mpi-debug: [foss2023a-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)