Match Hartree energy
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-min-parallel: [foss2023b-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.266259858000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)