Match Partial charge 45
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
1.006000000000000e+00 | 1.007000000000000e+00 | 5.030000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)