Match nuclei-solvent int. energy
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run eb_foss-2022a >
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)