Match electrons-solvent int. energy
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run spack_foss-2022a_serial >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
2.222829400000000e-01 | 2.222829400000000e-01 | 1.110000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_e-solvent =', 3)