Match Partial charge 50
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2022a_serial_min >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.970000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)