Match Exchange energy
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
-9.198639556000001e+01 | -9.198639570000000e+01 | 4.600000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)