Match Partial charge 35
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_foss-2023a_mpi_debug >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
5.971000000000000e+00 | 5.971000000000000e+00 | 2.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)