Match Hartree energy
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run intel_omp_autotools: [intel2023a-serial] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936996510000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)