Match Partial charge 60
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.980000000000000e-01 | 9.990000000000000e-01 | 5.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)