Match Partial charge 10
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_intel-2022a_impi_omp >
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)