Match Partial charge 10
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.905000000000000e+00 | 4.904000000000000e+00 | 2.450000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 11)