Match M-solvent int. energy @ t=21*dt
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run cmake_foss_2022a_min_mpi >
Input 32-tdpcm_methane.03-td_prop_eom.inp
Value | Reference | Precision | Status |
-1.508541481001693e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)