Match M-solvent int. energy @ t=21*dt
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Run spack_foss-2022a_serial >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.508539158023254e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)