Match Exchange energy
Commits >
Commit 84a224bff1cd011cf170e791fd9a54d358367d33 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
-9.198639564000000e+01 | -9.198639570000000e+01 | 4.600000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)