Match Hartree energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356150013900000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)