Match electrons-solvent int. energy
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
2.222834100000000e-01 | 2.222834100000000e-01 | 1.110000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_e-solvent =', 3)