Match Hartree energy
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run cuda-mpi-omp: [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)