Match Hartree energy
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run cmake_foss_2022a_full_serial >
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)