Match Hartree-Fock eigenvalue up
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 03-xc.01-gs.inp
Value | Reference | Precision | Status |
-1.128660000000000e+00 | -1.128664000000000e+00 | 4.400000000000000e-06 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)