Match molecule-solvent int. energy
Commits >
Commit 34a88ed67d1e43cec43030663c55a516d3c2803d >
Run eb_foss-2022a_mpi_debug >
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)