Match Ion-ion energy
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
9.235785409000000e+01 | 9.235785409000000e+01 | 4.620000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Ion-ion =', 3)