Match Hartree energy
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss_autotools: [foss2022a-serial] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936999680000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)