Match nuclei-solvent int. energy
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run eb_fosscuda-2022a_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)