Match Partial charge 45
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_foss-2023a_mpi >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 1.007000000000000e+00 | 1.007000000000000e+00 | 5.030000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)