Match Hartree energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988937002880000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)