Match Hartree energy
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 08-vdw_ts.01-gs.inp
Value | Reference | Precision | Status |
5.016731445000000e+01 | 5.016731445000000e+01 | 2.510000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)