Match XCrySDen geometry
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 05-output.02-gs.inp
Value | Reference | Precision | Status |
2.645886000000000e+00 | 2.645886000000000e+00 | 7.130000000000000e-13 | PASS |
Command: LINEFIELD(static/geometry.xsf, 2, 3)