Match Hartree-Fock eigenvalue up
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 03-xc.01-gs.inp
Value | Reference | Precision | Status |
-1.128668000000000e+00 | -1.128664000000000e+00 | 4.400000000000000e-06 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)