Match M-solvent int. energy @ t=0
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run spack_foss-2022a_mpi_wo_codecov >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501578001383771e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)