Match nuclei-solvent int. energy
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2023a_serial_opt >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
-2.372987200000000e-01 | -2.372987200000000e-01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)