Match Hartree-Fock eigenvalue 1 up
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 02-xc_2d.02-hf.inp
Value | Reference | Precision | Status |
5.375140000000000e-01 | 5.375150000000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)