Match Partial charge 40
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_foss-2022a_cuda_serial >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.820000000000000e-01 | 8.500000000000000e-01 | 4.250000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 41)