Match Hartree energy
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run cmake_foss_2022a_full_serial >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266251499000000e+01 | 2.266251516000000e+01 | 1.930000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)