Match Hartree energy
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988937003380000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)