Match molecule-solvent int. energy
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run intel-2022a_omp >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
-1.501578000000000e-02 | -1.501578000000000e-02 | 7.510000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)