Match Partial charge 45
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run spack_foss-2023a_serial_omp >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
1.007000000000000e+00 | 1.007000000000000e+00 | 5.030000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)