Match Total energy
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run eb_foss-2022a_mpi_debug >
Input 24-hartree_fock_1D.01-gs.inp
Value | Reference | Precision | Status |
-4.884828460900000e+02 | -4.884828460900000e+02 | 2.440000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)