Match Partial charge 30

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_mpi_min > 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)
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