Match Partial charge 10
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_mpi_opt >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.904000000000000e+00 | 4.904000000000000e+00 | 2.450000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 11)