Match Hartree energy
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss-omp-full: [foss2023a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.266259809000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)