Match molecule-solvent int. energy
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2022a_serial_min >
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)