Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988937003540000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)