Match Hartree energy
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
| Value | Reference | Precision | Status |
| 3.356150014800000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)