Match Initial energy
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 21-scissor.01-gs.inp
Value | Reference | Precision | Status |
-4.153852200000000e-01 | -4.153852200000000e-01 | 2.080000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)