Match XSF coord
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run intel_autotools: [intel2023a-serial] >
Input 05-lithium.01-gs.inp
Value | Reference | Precision | Status |
3.316469000000000e+00 | 3.316469000000000e+00 | 1.660000000000000e-05 | PASS |
Command: GREPFIELD(static/density.xsf, 'PRIMCOORD', 2, 2)