Match Total energy
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 24-hartree_fock_1D.01-gs.inp
Value | Reference | Precision | Status |
-4.884828441900000e+02 | -4.884828441900000e+02 | 2.440000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)