Match Hartree energy
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Run spack_foss-2022a_serial_opt >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895210750000e+03 | 3.954895210660000e+03 | 4.180000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)