Match Hartree energy
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss-serial-min: [foss2022a-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)