Match Partial charge 30

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2023a_mpi > Input 10-vdw_d3_dna.01-gs_novdw.inp
Value Reference Precision Status
4.044000000000000e+00 4.064000000000000e+00 2.030000000000000e-02 PASS
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)
Compare to other runs.