Match External energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-5.378298564000000e+01 | -5.378298553000000e+01 | 6.930000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'External =', 3)