Match Partial charge 45
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2023a_serial_min >
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)