Match Hartree energy
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 04-ACBN0_isolated.01-H_unpacked.inp
Value | Reference | Precision | Status |
3.090383600000000e-01 | 3.090383600000000e-01 | 1.550000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)