Match molecule-solvent int. energy
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run spack_foss-2022a_mpi >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -1.501578000000000e-02 | -1.501578000000000e-02 | 7.510000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)