Match Hartree energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266259829000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)