Match Hartree energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356150012200000e+02 | 3.356150013750000e+02 | 1.700000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)