Match Hartree-Fock energy Total
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 03-xc.01-gs.inp
Value | Reference | Precision | Status |
-7.075616800000000e-01 | -7.075695600000000e-01 | 8.729999999999999e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)