Match External energy
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
-8.194568865900000e+02 | -8.194568794900000e+02 | 7.830000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'External =', 3)