Match M-solvent int. energy @ t=0
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_foss-2022a_mpi_min >
Input 32-tdpcm_methane.03-td_prop_eom.inp
Value | Reference | Precision | Status |
-1.501578001386188e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)