Match Ion-ion energy
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run cmake_foss_2022a_full_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)