Match nuclei-solvent int. energy
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2023a_mpi_omp >
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)