Match Hartree energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_opt_autotools: [foss2023a-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)