Match Hartree energy
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215187200000e+02 | 1.205215187200000e+02 | 1.210000000000000e-12 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)