Match nuclei-solvent int. energy
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2023b_serial >
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)