Match Partial charge 30
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.048000000000000e+00 | 4.064000000000000e+00 | 2.030000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)