Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi] >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
5.016541729000000e+01 | 5.016541729000000e+01 | 2.510000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)